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/Bmutant-486ab426/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Bmutant-486ab426/inputs/seq.fa: 1
curr_seq: _UUCACUAUUUUUGUCUACGGAGCUCUUCAAUGGUACUACAAAUCUUCAUGAUCUCAGUGAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUCACUAUUUUUGUCUACGGAGCUCUUCAAUGGUACUACAAAUCUUCAUGAUCUCAGUGAA
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 61 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: 310
n_atoms_counter: 310
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 61.000000 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/Bmutant-486ab426/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Bmutant-486ab426/inputs/seq.fa: 1
curr_seq: _UUCACUAUUUUUGUCUACGGAGCUCUUCAAUGGUACUACAAAUCUUCAUGAUCUCAGUGAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUCACUAUUUUUGUCUACGGAGCUCUUCAAUGGUACUACAAAUCUUCAUGAUCUCAGUGAA
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 61 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: 310
n_atoms_counter: 310
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 61.000000 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/Bmutant-486ab426/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Bmutant-486ab426/inputs/seq.fa: 1
curr_seq: _UUCACUAUUUUUGUCUACGGAGCUCUUCAAUGGUACUACAAAUCUUCAUGAUCUCAGUGAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUCACUAUUUUUGUCUACGGAGCUCUUCAAUGGUACUACAAAUCUUCAUGAUCUCAGUGAA
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 61 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: 310
n_atoms_counter: 310
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 61.000000 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/Bmutant-486ab426/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Bmutant-486ab426/inputs/seq.fa: 1
curr_seq: _UUCACUAUUUUUGUCUACGGAGCUCUUCAAUGGUACUACAAAUCUUCAUGAUCUCAGUGAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUCACUAUUUUUGUCUACGGAGCUCUUCAAUGGUACUACAAAUCUUCAUGAUCUCAGUGAA
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 61 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: 310
n_atoms_counter: 310
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 61.000000 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/Bmutant-486ab426/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Bmutant-486ab426/inputs/seq.fa: 1
curr_seq: _UUCACUAUUUUUGUCUACGGAGCUCUUCAAUGGUACUACAAAUCUUCAUGAUCUCAGUGAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUCACUAUUUUUGUCUACGGAGCUCUUCAAUGGUACUACAAAUCUUCAUGAUCUCAGUGAA
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 61 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: 310
n_atoms_counter: 310
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 61.000000 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/Bmutant-486ab426/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Bmutant-486ab426/inputs/seq.fa: 1
curr_seq: _UUCACUAUUUUUGUCUACGGAGCUCUUCAAUGGUACUACAAAUCUUCAUGAUCUCAGUGAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUCACUAUUUUUGUCUACGGAGCUCUUCAAUGGUACUACAAAUCUUCAUGAUCUCAGUGAA
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 61 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: 310
n_atoms_counter: 310
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 61.000000 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/Bmutant-486ab426/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Bmutant-486ab426/inputs/seq.fa: 1
curr_seq: _UUCACUAUUUUUGUCUACGGAGCUCUUCAAUGGUACUACAAAUCUUCAUGAUCUCAGUGAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUCACUAUUUUUGUCUACGGAGCUCUUCAAUGGUACUACAAAUCUUCAUGAUCUCAGUGAA
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 61 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: 310
n_atoms_counter: 310
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 61.000000 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/Bmutant-486ab426/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Bmutant-486ab426/inputs/seq.fa: 1
curr_seq: _UUCACUAUUUUUGUCUACGGAGCUCUUCAAUGGUACUACAAAUCUUCAUGAUCUCAGUGAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUCACUAUUUUUGUCUACGGAGCUCUUCAAUGGUACUACAAAUCUUCAUGAUCUCAGUGAA
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 61 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: 310
n_atoms_counter: 310
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 61.000000 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/Bmutant-486ab426/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Bmutant-486ab426/inputs/seq.fa: 1
curr_seq: _UUCACUAUUUUUGUCUACGGAGCUCUUCAAUGGUACUACAAAUCUUCAUGAUCUCAGUGAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUCACUAUUUUUGUCUACGGAGCUCUUCAAUGGUACUACAAAUCUUCAUGAUCUCAGUGAA
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 61 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: 310
n_atoms_counter: 310
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 61.000000 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/Bmutant-486ab426/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Bmutant-486ab426/inputs/seq.fa: 1
curr_seq: _UUCACUAUUUUUGUCUACGGAGCUCUUCAAUGGUACUACAAAUCUUCAUGAUCUCAGUGAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUCACUAUUUUUGUCUACGGAGCUCUUCAAUGGUACUACAAAUCUUCAUGAUCUCAGUGAA
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 61 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: 310
n_atoms_counter: 310
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 61.000000 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: -242.167456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.167456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.167456 (E_RNA)
where:
Base-Base interactions energy: -4.432
where: short stacking energy: -4.432
Base-Backbone interact. energy: -0.000
local terms energy: -237.735843
where:
bonds (distance) C4'-P energy: -59.266
bonds (distance) P-C4' energy: -55.468
flat angles C4'-P-C4' energy: -44.788
flat angles P-C4'-P energy: -51.232
tors. eta vs tors. theta energy: -26.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -242.167456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.167456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.167456 (E_RNA)
where:
Base-Base interactions energy: -4.432
where: short stacking energy: -4.432
Base-Backbone interact. energy: -0.000
local terms energy: -237.735843
where:
bonds (distance) C4'-P energy: -59.266
bonds (distance) P-C4' energy: -55.468
flat angles C4'-P-C4' energy: -44.788
flat angles P-C4'-P energy: -51.232
tors. eta vs tors. theta energy: -26.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -242.167456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.167456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.167456 (E_RNA)
where:
Base-Base interactions energy: -4.432
where: short stacking energy: -4.432
Base-Backbone interact. energy: -0.000
local terms energy: -237.735843
where:
bonds (distance) C4'-P energy: -59.266
bonds (distance) P-C4' energy: -55.468
flat angles C4'-P-C4' energy: -44.788
flat angles P-C4'-P energy: -51.232
tors. eta vs tors. theta energy: -26.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -242.167456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.167456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.167456 (E_RNA)
where:
Base-Base interactions energy: -4.432
where: short stacking energy: -4.432
Base-Backbone interact. energy: -0.000
local terms energy: -237.735843
where:
bonds (distance) C4'-P energy: -59.266
bonds (distance) P-C4' energy: -55.468
flat angles C4'-P-C4' energy: -44.788
flat angles P-C4'-P energy: -51.232
tors. eta vs tors. theta energy: -26.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -242.167456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.167456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.167456 (E_RNA)
where:
Base-Base interactions energy: -4.432
where: short stacking energy: -4.432
Base-Backbone interact. energy: -0.000
local terms energy: -237.735843
where:
bonds (distance) C4'-P energy: -59.266
bonds (distance) P-C4' energy: -55.468
flat angles C4'-P-C4' energy: -44.788
flat angles P-C4'-P energy: -51.232
tors. eta vs tors. theta energy: -26.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -242.167456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.167456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.167456 (E_RNA)
where:
Base-Base interactions energy: -4.432
where: short stacking energy: -4.432
Base-Backbone interact. energy: -0.000
local terms energy: -237.735843
where:
bonds (distance) C4'-P energy: -59.266
bonds (distance) P-C4' energy: -55.468
flat angles C4'-P-C4' energy: -44.788
flat angles P-C4'-P energy: -51.232
tors. eta vs tors. theta energy: -26.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -242.167456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.167456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.167456 (E_RNA)
where:
Base-Base interactions energy: -4.432
where: short stacking energy: -4.432
Base-Backbone interact. energy: -0.000
local terms energy: -237.735843
where:
bonds (distance) C4'-P energy: -59.266
bonds (distance) P-C4' energy: -55.468
flat angles C4'-P-C4' energy: -44.788
flat angles P-C4'-P energy: -51.232
tors. eta vs tors. theta energy: -26.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -242.167456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.167456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.167456 (E_RNA)
where:
Base-Base interactions energy: -4.432
where: short stacking energy: -4.432
Base-Backbone interact. energy: -0.000
local terms energy: -237.735843
where:
bonds (distance) C4'-P energy: -59.266
bonds (distance) P-C4' energy: -55.468
flat angles C4'-P-C4' energy: -44.788
flat angles P-C4'-P energy: -51.232
tors. eta vs tors. theta energy: -26.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -242.167456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.167456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.167456 (E_RNA)
where:
Base-Base interactions energy: -4.432
where: short stacking energy: -4.432
Base-Backbone interact. energy: -0.000
local terms energy: -237.735843
where:
bonds (distance) C4'-P energy: -59.266
bonds (distance) P-C4' energy: -55.468
flat angles C4'-P-C4' energy: -44.788
flat angles P-C4'-P energy: -51.232
tors. eta vs tors. theta energy: -26.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -242.167456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.167456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.167456 (E_RNA)
where:
Base-Base interactions energy: -4.432
where: short stacking energy: -4.432
Base-Backbone interact. energy: -0.000
local terms energy: -237.735843
where:
bonds (distance) C4'-P energy: -59.266
bonds (distance) P-C4' energy: -55.468
flat angles C4'-P-C4' energy: -44.788
flat angles P-C4'-P energy: -51.232
tors. eta vs tors. theta energy: -26.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -311.509930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.509930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.509930 (E_RNA)
where:
Base-Base interactions energy: -130.555
where: short stacking energy: -130.461
Base-Backbone interact. energy: -0.028
local terms energy: -180.927017
where:
bonds (distance) C4'-P energy: -35.999
bonds (distance) P-C4' energy: -42.313
flat angles C4'-P-C4' energy: -41.806
flat angles P-C4'-P energy: -30.439
tors. eta vs tors. theta energy: -30.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -306.850057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.850057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.850057 (E_RNA)
where:
Base-Base interactions energy: -130.929
where: short stacking energy: -122.811
Base-Backbone interact. energy: -0.063
local terms energy: -175.857508
where:
bonds (distance) C4'-P energy: -38.556
bonds (distance) P-C4' energy: -36.932
flat angles C4'-P-C4' energy: -38.771
flat angles P-C4'-P energy: -26.706
tors. eta vs tors. theta energy: -34.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -290.249752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.249752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.249752 (E_RNA)
where:
Base-Base interactions energy: -116.869
where: short stacking energy: -114.881
Base-Backbone interact. energy: -1.895
local terms energy: -171.486242
where:
bonds (distance) C4'-P energy: -38.808
bonds (distance) P-C4' energy: -35.502
flat angles C4'-P-C4' energy: -41.434
flat angles P-C4'-P energy: -30.970
tors. eta vs tors. theta energy: -24.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -289.007395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.007395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.007395 (E_RNA)
where:
Base-Base interactions energy: -117.714
where: short stacking energy: -117.714
Base-Backbone interact. energy: -0.148
local terms energy: -171.145655
where:
bonds (distance) C4'-P energy: -40.186
bonds (distance) P-C4' energy: -43.572
flat angles C4'-P-C4' energy: -35.232
flat angles P-C4'-P energy: -23.207
tors. eta vs tors. theta energy: -28.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -252.181477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.181477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.181477 (E_RNA)
where:
Base-Base interactions energy: -110.559
where: short stacking energy: -80.959
Base-Backbone interact. energy: -0.338
local terms energy: -141.284349
where:
bonds (distance) C4'-P energy: -35.881
bonds (distance) P-C4' energy: -36.510
flat angles C4'-P-C4' energy: -31.538
flat angles P-C4'-P energy: -23.213
tors. eta vs tors. theta energy: -14.142
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: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -246.529152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.529152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.529152 (E_RNA)
where:
Base-Base interactions energy: -104.859
where: short stacking energy: -69.813
Base-Backbone interact. energy: -0.585
local terms energy: -141.084963
where:
bonds (distance) C4'-P energy: -33.298
bonds (distance) P-C4' energy: -34.804
flat angles C4'-P-C4' energy: -40.828
flat angles P-C4'-P energy: -25.199
tors. eta vs tors. theta energy: -6.956
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: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -241.415991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.415991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.415991 (E_RNA)
where:
Base-Base interactions energy: -4.432
where: short stacking energy: -4.432
Base-Backbone interact. energy: -0.000
local terms energy: -236.984376
where:
bonds (distance) C4'-P energy: -59.150
bonds (distance) P-C4' energy: -55.462
flat angles C4'-P-C4' energy: -44.203
flat angles P-C4'-P energy: -51.158
tors. eta vs tors. theta energy: -27.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -243.117495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.117495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.117495 (E_RNA)
where:
Base-Base interactions energy: -7.228
where: short stacking energy: -7.228
Base-Backbone interact. energy: -0.000
local terms energy: -235.889751
where:
bonds (distance) C4'-P energy: -58.679
bonds (distance) P-C4' energy: -55.455
flat angles C4'-P-C4' energy: -43.906
flat angles P-C4'-P energy: -51.158
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: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -243.388848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.388848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.388848 (E_RNA)
where:
Base-Base interactions energy: -7.464
where: short stacking energy: -7.464
Base-Backbone interact. energy: -0.000
local terms energy: -235.924409
where:
bonds (distance) C4'-P energy: -58.679
bonds (distance) P-C4' energy: -55.455
flat angles C4'-P-C4' energy: -43.906
flat angles P-C4'-P energy: -51.158
tors. eta vs tors. theta energy: -26.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -244.014490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.014490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.014490 (E_RNA)
where:
Base-Base interactions energy: -8.237
where: short stacking energy: -8.237
Base-Backbone interact. energy: -0.000
local terms energy: -235.777249
where:
bonds (distance) C4'-P energy: -58.679
bonds (distance) P-C4' energy: -55.455
flat angles C4'-P-C4' energy: -43.906
flat angles P-C4'-P energy: -51.158
tors. eta vs tors. theta energy: -26.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -331.859342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.859342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.859342 (E_RNA)
where:
Base-Base interactions energy: -149.715
where: short stacking energy: -125.335
Base-Backbone interact. energy: -0.187
local terms energy: -181.957090
where:
bonds (distance) C4'-P energy: -36.131
bonds (distance) P-C4' energy: -39.384
flat angles C4'-P-C4' energy: -42.501
flat angles P-C4'-P energy: -29.832
tors. eta vs tors. theta energy: -34.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -344.324587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.324587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.324587 (E_RNA)
where:
Base-Base interactions energy: -179.962
where: short stacking energy: -113.623
Base-Backbone interact. energy: 1.162
local terms energy: -165.524679
where:
bonds (distance) C4'-P energy: -42.546
bonds (distance) P-C4' energy: -41.778
flat angles C4'-P-C4' energy: -30.649
flat angles P-C4'-P energy: -28.456
tors. eta vs tors. theta energy: -22.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -282.916154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.916154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.916154 (E_RNA)
where:
Base-Base interactions energy: -119.850
where: short stacking energy: -101.568
Base-Backbone interact. energy: -0.631
local terms energy: -162.435507
where:
bonds (distance) C4'-P energy: -41.305
bonds (distance) P-C4' energy: -36.107
flat angles C4'-P-C4' energy: -35.473
flat angles P-C4'-P energy: -24.069
tors. eta vs tors. theta energy: -25.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -322.330291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.330291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.330291 (E_RNA)
where:
Base-Base interactions energy: -179.449
where: short stacking energy: -96.227
Base-Backbone interact. energy: -1.051
local terms energy: -141.830341
where:
bonds (distance) C4'-P energy: -29.534
bonds (distance) P-C4' energy: -35.847
flat angles C4'-P-C4' energy: -38.795
flat angles P-C4'-P energy: -24.612
tors. eta vs tors. theta energy: -13.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -248.112024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.112024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.112024 (E_RNA)
where:
Base-Base interactions energy: -91.102
where: short stacking energy: -90.910
Base-Backbone interact. energy: -0.420
local terms energy: -156.590165
where:
bonds (distance) C4'-P energy: -37.051
bonds (distance) P-C4' energy: -42.685
flat angles C4'-P-C4' energy: -31.848
flat angles P-C4'-P energy: -29.186
tors. eta vs tors. theta energy: -15.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -238.364868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.364868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.364868 (E_RNA)
where:
Base-Base interactions energy: -110.642
where: short stacking energy: -75.394
Base-Backbone interact. energy: -1.007
local terms energy: -126.716444
where:
bonds (distance) C4'-P energy: -29.871
bonds (distance) P-C4' energy: -32.450
flat angles C4'-P-C4' energy: -39.373
flat angles P-C4'-P energy: -17.017
tors. eta vs tors. theta energy: -8.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -200.533557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.533557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.533557 (E_RNA)
where:
Base-Base interactions energy: -89.254
where: short stacking energy: -70.749
Base-Backbone interact. energy: 1.256
local terms energy: -112.535569
where:
bonds (distance) C4'-P energy: -33.980
bonds (distance) P-C4' energy: -27.630
flat angles C4'-P-C4' energy: -26.684
flat angles P-C4'-P energy: -15.289
tors. eta vs tors. theta energy: -8.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -202.253435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.253435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.253435 (E_RNA)
where:
Base-Base interactions energy: -79.208
where: short stacking energy: -39.095
Base-Backbone interact. energy: -1.139
local terms energy: -121.906189
where:
bonds (distance) C4'-P energy: -24.432
bonds (distance) P-C4' energy: -42.295
flat angles C4'-P-C4' energy: -31.095
flat angles P-C4'-P energy: -32.051
tors. eta vs tors. theta energy: 7.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -187.356967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.356967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.356967 (E_RNA)
where:
Base-Base interactions energy: -58.197
where: short stacking energy: -47.304
Base-Backbone interact. energy: 0.646
local terms energy: -129.805784
where:
bonds (distance) C4'-P energy: -39.819
bonds (distance) P-C4' energy: -34.807
flat angles C4'-P-C4' energy: -33.169
flat angles P-C4'-P energy: -24.719
tors. eta vs tors. theta energy: 2.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -177.435594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.435594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.435594 (E_RNA)
where:
Base-Base interactions energy: -66.048
where: short stacking energy: -44.078
Base-Backbone interact. energy: -0.171
local terms energy: -111.216133
where:
bonds (distance) C4'-P energy: -40.215
bonds (distance) P-C4' energy: -28.741
flat angles C4'-P-C4' energy: -24.555
flat angles P-C4'-P energy: -13.701
tors. eta vs tors. theta energy: -4.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -388.840336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.840336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.840336 (E_RNA)
where:
Base-Base interactions energy: -209.192
where: short stacking energy: -150.505
Base-Backbone interact. energy: -1.208
local terms energy: -178.441321
where:
bonds (distance) C4'-P energy: -36.850
bonds (distance) P-C4' energy: -38.755
flat angles C4'-P-C4' energy: -35.966
flat angles P-C4'-P energy: -28.513
tors. eta vs tors. theta energy: -38.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -329.840958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.840958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.840958 (E_RNA)
where:
Base-Base interactions energy: -159.406
where: short stacking energy: -101.898
Base-Backbone interact. energy: -0.573
local terms energy: -169.862721
where:
bonds (distance) C4'-P energy: -42.555
bonds (distance) P-C4' energy: -35.213
flat angles C4'-P-C4' energy: -38.356
flat angles P-C4'-P energy: -30.057
tors. eta vs tors. theta energy: -23.682
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: 3, replica: 4
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -376.870962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.870962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.870962 (E_RNA)
where:
Base-Base interactions energy: -222.658
where: short stacking energy: -97.114
Base-Backbone interact. energy: -0.412
local terms energy: -153.801043
where:
bonds (distance) C4'-P energy: -34.404
bonds (distance) P-C4' energy: -38.188
flat angles C4'-P-C4' energy: -38.700
flat angles P-C4'-P energy: -28.679
tors. eta vs tors. theta energy: -13.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -280.778633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.778633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.778633 (E_RNA)
where:
Base-Base interactions energy: -131.795
where: short stacking energy: -96.005
Base-Backbone interact. energy: -0.851
local terms energy: -148.131997
where:
bonds (distance) C4'-P energy: -40.494
bonds (distance) P-C4' energy: -37.266
flat angles C4'-P-C4' energy: -33.123
flat angles P-C4'-P energy: -19.728
tors. eta vs tors. theta energy: -17.520
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: 7
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -292.786680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.786680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.786680 (E_RNA)
where:
Base-Base interactions energy: -163.695
where: short stacking energy: -78.436
Base-Backbone interact. energy: 1.252
local terms energy: -130.343615
where:
bonds (distance) C4'-P energy: -27.352
bonds (distance) P-C4' energy: -40.599
flat angles C4'-P-C4' energy: -32.577
flat angles P-C4'-P energy: -22.978
tors. eta vs tors. theta energy: -6.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -239.201149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.201149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.201149 (E_RNA)
where:
Base-Base interactions energy: -105.989
where: short stacking energy: -81.960
Base-Backbone interact. energy: 0.126
local terms energy: -133.338179
where:
bonds (distance) C4'-P energy: -38.380
bonds (distance) P-C4' energy: -36.692
flat angles C4'-P-C4' energy: -38.056
flat angles P-C4'-P energy: -14.878
tors. eta vs tors. theta energy: -5.333
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: 9
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -236.184935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.184935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.184935 (E_RNA)
where:
Base-Base interactions energy: -110.459
where: short stacking energy: -70.613
Base-Backbone interact. energy: 4.781
local terms energy: -130.507374
where:
bonds (distance) C4'-P energy: -35.624
bonds (distance) P-C4' energy: -36.528
flat angles C4'-P-C4' energy: -30.684
flat angles P-C4'-P energy: -24.114
tors. eta vs tors. theta energy: -3.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -200.340083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.340083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.340083 (E_RNA)
where:
Base-Base interactions energy: -85.716
where: short stacking energy: -52.502
Base-Backbone interact. energy: -0.337
local terms energy: -114.287387
where:
bonds (distance) C4'-P energy: -27.880
bonds (distance) P-C4' energy: -39.132
flat angles C4'-P-C4' energy: -27.615
flat angles P-C4'-P energy: -14.690
tors. eta vs tors. theta energy: -4.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -186.946674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.946674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.946674 (E_RNA)
where:
Base-Base interactions energy: -56.587
where: short stacking energy: -43.279
Base-Backbone interact. energy: 0.628
local terms energy: -130.988027
where:
bonds (distance) C4'-P energy: -39.222
bonds (distance) P-C4' energy: -39.139
flat angles C4'-P-C4' energy: -32.316
flat angles P-C4'-P energy: -17.245
tors. eta vs tors. theta energy: -3.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -175.039929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.039929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.039929 (E_RNA)
where:
Base-Base interactions energy: -61.976
where: short stacking energy: -57.524
Base-Backbone interact. energy: -0.658
local terms energy: -112.405884
where:
bonds (distance) C4'-P energy: -20.273
bonds (distance) P-C4' energy: -34.376
flat angles C4'-P-C4' energy: -38.455
flat angles P-C4'-P energy: -24.714
tors. eta vs tors. theta energy: 5.412
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: 2
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -395.951866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.951866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.951866 (E_RNA)
where:
Base-Base interactions energy: -222.521
where: short stacking energy: -117.993
Base-Backbone interact. energy: -0.772
local terms energy: -172.658331
where:
bonds (distance) C4'-P energy: -34.205
bonds (distance) P-C4' energy: -42.931
flat angles C4'-P-C4' energy: -33.494
flat angles P-C4'-P energy: -25.712
tors. eta vs tors. theta energy: -36.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -442.394808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.394808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.394808 (E_RNA)
where:
Base-Base interactions energy: -263.507
where: short stacking energy: -130.025
Base-Backbone interact. energy: 1.455
local terms energy: -180.342594
where:
bonds (distance) C4'-P energy: -34.259
bonds (distance) P-C4' energy: -37.021
flat angles C4'-P-C4' energy: -43.998
flat angles P-C4'-P energy: -30.753
tors. eta vs tors. theta energy: -34.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -309.567517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.567517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.567517 (E_RNA)
where:
Base-Base interactions energy: -148.252
where: short stacking energy: -95.312
Base-Backbone interact. energy: -0.834
local terms energy: -160.481178
where:
bonds (distance) C4'-P energy: -40.683
bonds (distance) P-C4' energy: -42.120
flat angles C4'-P-C4' energy: -38.967
flat angles P-C4'-P energy: -23.293
tors. eta vs tors. theta energy: -15.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -331.850850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.850850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.850850 (E_RNA)
where:
Base-Base interactions energy: -175.908
where: short stacking energy: -100.904
Base-Backbone interact. energy: -0.895
local terms energy: -155.047933
where:
bonds (distance) C4'-P energy: -35.767
bonds (distance) P-C4' energy: -37.081
flat angles C4'-P-C4' energy: -37.203
flat angles P-C4'-P energy: -25.971
tors. eta vs tors. theta energy: -19.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -269.779729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.779729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.779729 (E_RNA)
where:
Base-Base interactions energy: -116.169
where: short stacking energy: -90.844
Base-Backbone interact. energy: -1.055
local terms energy: -152.555302
where:
bonds (distance) C4'-P energy: -30.493
bonds (distance) P-C4' energy: -44.150
flat angles C4'-P-C4' energy: -35.410
flat angles P-C4'-P energy: -27.912
tors. eta vs tors. theta energy: -14.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -217.192451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.192451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.192451 (E_RNA)
where:
Base-Base interactions energy: -93.734
where: short stacking energy: -78.684
Base-Backbone interact. energy: -1.643
local terms energy: -121.815645
where:
bonds (distance) C4'-P energy: -34.217
bonds (distance) P-C4' energy: -34.813
flat angles C4'-P-C4' energy: -29.908
flat angles P-C4'-P energy: -21.065
tors. eta vs tors. theta energy: -1.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -207.639771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.639771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.639771 (E_RNA)
where:
Base-Base interactions energy: -79.937
where: short stacking energy: -52.680
Base-Backbone interact. energy: 1.604
local terms energy: -129.306579
where:
bonds (distance) C4'-P energy: -41.316
bonds (distance) P-C4' energy: -37.096
flat angles C4'-P-C4' energy: -28.249
flat angles P-C4'-P energy: -20.999
tors. eta vs tors. theta energy: -1.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -198.201916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.201916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.201916 (E_RNA)
where:
Base-Base interactions energy: -78.135
where: short stacking energy: -55.333
Base-Backbone interact. energy: -0.716
local terms energy: -119.350689
where:
bonds (distance) C4'-P energy: -33.423
bonds (distance) P-C4' energy: -26.985
flat angles C4'-P-C4' energy: -39.180
flat angles P-C4'-P energy: -14.983
tors. eta vs tors. theta energy: -4.781
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: 6
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -226.340812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.340812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.340812 (E_RNA)
where:
Base-Base interactions energy: -108.776
where: short stacking energy: -53.283
Base-Backbone interact. energy: -0.611
local terms energy: -116.953995
where:
bonds (distance) C4'-P energy: -32.113
bonds (distance) P-C4' energy: -36.072
flat angles C4'-P-C4' energy: -33.917
flat angles P-C4'-P energy: -19.958
tors. eta vs tors. theta energy: 5.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -169.078462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.078462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.078462 (E_RNA)
where:
Base-Base interactions energy: -66.322
where: short stacking energy: -49.489
Base-Backbone interact. energy: -0.831
local terms energy: -101.925271
where:
bonds (distance) C4'-P energy: -29.031
bonds (distance) P-C4' energy: -34.717
flat angles C4'-P-C4' energy: -29.198
flat angles P-C4'-P energy: -9.168
tors. eta vs tors. theta energy: 0.188
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: 4
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -484.221673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.221673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.221673 (E_RNA)
where:
Base-Base interactions energy: -294.340
where: short stacking energy: -133.678
Base-Backbone interact. energy: -0.860
local terms energy: -189.021421
where:
bonds (distance) C4'-P energy: -40.488
bonds (distance) P-C4' energy: -42.402
flat angles C4'-P-C4' energy: -45.272
flat angles P-C4'-P energy: -29.046
tors. eta vs tors. theta energy: -31.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -373.436335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.436335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.436335 (E_RNA)
where:
Base-Base interactions energy: -190.352
where: short stacking energy: -131.523
Base-Backbone interact. energy: -0.878
local terms energy: -182.205896
where:
bonds (distance) C4'-P energy: -40.791
bonds (distance) P-C4' energy: -40.056
flat angles C4'-P-C4' energy: -42.347
flat angles P-C4'-P energy: -23.023
tors. eta vs tors. theta energy: -35.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -354.312114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.312114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.312114 (E_RNA)
where:
Base-Base interactions energy: -201.796
where: short stacking energy: -107.273
Base-Backbone interact. energy: 2.570
local terms energy: -155.085598
where:
bonds (distance) C4'-P energy: -37.893
bonds (distance) P-C4' energy: -32.790
flat angles C4'-P-C4' energy: -39.877
flat angles P-C4'-P energy: -22.806
tors. eta vs tors. theta energy: -21.720
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: 4, replica: 1
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -318.696054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.696054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.696054 (E_RNA)
where:
Base-Base interactions energy: -158.657
where: short stacking energy: -90.471
Base-Backbone interact. energy: -0.499
local terms energy: -159.540106
where:
bonds (distance) C4'-P energy: -38.179
bonds (distance) P-C4' energy: -39.862
flat angles C4'-P-C4' energy: -38.305
flat angles P-C4'-P energy: -23.059
tors. eta vs tors. theta energy: -20.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -239.218888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.218888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.218888 (E_RNA)
where:
Base-Base interactions energy: -99.659
where: short stacking energy: -83.132
Base-Backbone interact. energy: 0.103
local terms energy: -139.663412
where:
bonds (distance) C4'-P energy: -34.663
bonds (distance) P-C4' energy: -38.983
flat angles C4'-P-C4' energy: -36.590
flat angles P-C4'-P energy: -21.782
tors. eta vs tors. theta energy: -7.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -307.112570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.112570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.112570 (E_RNA)
where:
Base-Base interactions energy: -158.124
where: short stacking energy: -90.378
Base-Backbone interact. energy: 1.628
local terms energy: -150.616214
where:
bonds (distance) C4'-P energy: -31.940
bonds (distance) P-C4' energy: -35.887
flat angles C4'-P-C4' energy: -29.717
flat angles P-C4'-P energy: -30.602
tors. eta vs tors. theta energy: -22.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -216.450776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.450776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.450776 (E_RNA)
where:
Base-Base interactions energy: -93.508
where: short stacking energy: -49.659
Base-Backbone interact. energy: 2.952
local terms energy: -125.894281
where:
bonds (distance) C4'-P energy: -39.899
bonds (distance) P-C4' energy: -45.335
flat angles C4'-P-C4' energy: -23.897
flat angles P-C4'-P energy: -19.148
tors. eta vs tors. theta energy: 2.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -196.758086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.758086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.758086 (E_RNA)
where:
Base-Base interactions energy: -73.068
where: short stacking energy: -69.662
Base-Backbone interact. energy: -1.454
local terms energy: -122.235967
where:
bonds (distance) C4'-P energy: -34.279
bonds (distance) P-C4' energy: -35.008
flat angles C4'-P-C4' energy: -28.764
flat angles P-C4'-P energy: -16.388
tors. eta vs tors. theta energy: -7.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -212.055342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.055342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.055342 (E_RNA)
where:
Base-Base interactions energy: -101.059
where: short stacking energy: -65.178
Base-Backbone interact. energy: -0.406
local terms energy: -110.590616
where:
bonds (distance) C4'-P energy: -37.309
bonds (distance) P-C4' energy: -20.511
flat angles C4'-P-C4' energy: -28.414
flat angles P-C4'-P energy: -22.326
tors. eta vs tors. theta energy: -2.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -161.418020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.418020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.418020 (E_RNA)
where:
Base-Base interactions energy: -52.905
where: short stacking energy: -38.148
Base-Backbone interact. energy: -0.408
local terms energy: -108.105128
where:
bonds (distance) C4'-P energy: -25.557
bonds (distance) P-C4' energy: -40.412
flat angles C4'-P-C4' energy: -29.073
flat angles P-C4'-P energy: -17.042
tors. eta vs tors. theta energy: 3.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -505.293607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.293607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.293607 (E_RNA)
where:
Base-Base interactions energy: -297.339
where: short stacking energy: -146.772
Base-Backbone interact. energy: -2.377
local terms energy: -205.578314
where:
bonds (distance) C4'-P energy: -39.966
bonds (distance) P-C4' energy: -46.702
flat angles C4'-P-C4' energy: -42.668
flat angles P-C4'-P energy: -30.475
tors. eta vs tors. theta energy: -45.768
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: 7
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -426.980283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.980283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.980283 (E_RNA)
where:
Base-Base interactions energy: -247.463
where: short stacking energy: -115.254
Base-Backbone interact. energy: -2.043
local terms energy: -177.473995
where:
bonds (distance) C4'-P energy: -41.831
bonds (distance) P-C4' energy: -43.721
flat angles C4'-P-C4' energy: -34.886
flat angles P-C4'-P energy: -25.967
tors. eta vs tors. theta energy: -31.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -318.845115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.845115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.845115 (E_RNA)
where:
Base-Base interactions energy: -147.427
where: short stacking energy: -90.023
Base-Backbone interact. energy: 0.197
local terms energy: -171.615353
where:
bonds (distance) C4'-P energy: -34.113
bonds (distance) P-C4' energy: -41.062
flat angles C4'-P-C4' energy: -36.401
flat angles P-C4'-P energy: -30.850
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: 4, replica: 1
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -325.630980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.630980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.630980 (E_RNA)
where:
Base-Base interactions energy: -173.887
where: short stacking energy: -94.295
Base-Backbone interact. energy: -0.735
local terms energy: -151.009147
where:
bonds (distance) C4'-P energy: -31.872
bonds (distance) P-C4' energy: -44.826
flat angles C4'-P-C4' energy: -33.479
flat angles P-C4'-P energy: -24.777
tors. eta vs tors. theta energy: -16.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -289.007169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.007169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.007169 (E_RNA)
where:
Base-Base interactions energy: -152.628
where: short stacking energy: -86.290
Base-Backbone interact. energy: -1.060
local terms energy: -135.319567
where:
bonds (distance) C4'-P energy: -34.271
bonds (distance) P-C4' energy: -34.696
flat angles C4'-P-C4' energy: -27.348
flat angles P-C4'-P energy: -26.596
tors. eta vs tors. theta energy: -12.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -300.991839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.991839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.991839 (E_RNA)
where:
Base-Base interactions energy: -157.499
where: short stacking energy: -93.238
Base-Backbone interact. energy: -0.503
local terms energy: -142.989248
where:
bonds (distance) C4'-P energy: -30.651
bonds (distance) P-C4' energy: -36.247
flat angles C4'-P-C4' energy: -33.086
flat angles P-C4'-P energy: -23.492
tors. eta vs tors. theta energy: -19.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -294.241627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.241627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.241627 (E_RNA)
where:
Base-Base interactions energy: -147.478
where: short stacking energy: -82.903
Base-Backbone interact. energy: -0.451
local terms energy: -146.312180
where:
bonds (distance) C4'-P energy: -29.438
bonds (distance) P-C4' energy: -44.289
flat angles C4'-P-C4' energy: -42.295
flat angles P-C4'-P energy: -13.813
tors. eta vs tors. theta energy: -16.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -192.305183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.305183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.305183 (E_RNA)
where:
Base-Base interactions energy: -69.991
where: short stacking energy: -55.575
Base-Backbone interact. energy: 0.777
local terms energy: -123.091866
where:
bonds (distance) C4'-P energy: -34.498
bonds (distance) P-C4' energy: -30.074
flat angles C4'-P-C4' energy: -35.433
flat angles P-C4'-P energy: -20.148
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: 9, replica: 5
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -205.680792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.680792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.680792 (E_RNA)
where:
Base-Base interactions energy: -53.678
where: short stacking energy: -50.694
Base-Backbone interact. energy: -1.302
local terms energy: -150.700674
where:
bonds (distance) C4'-P energy: -45.274
bonds (distance) P-C4' energy: -35.646
flat angles C4'-P-C4' energy: -36.769
flat angles P-C4'-P energy: -26.219
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: 10, replica: 8
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -183.366152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.366152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.366152 (E_RNA)
where:
Base-Base interactions energy: -57.029
where: short stacking energy: -53.894
Base-Backbone interact. energy: -0.346
local terms energy: -125.991412
where:
bonds (distance) C4'-P energy: -38.834
bonds (distance) P-C4' energy: -39.866
flat angles C4'-P-C4' energy: -30.315
flat angles P-C4'-P energy: -16.361
tors. eta vs tors. theta energy: -0.616
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: 4
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -510.250618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.250618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.250618 (E_RNA)
where:
Base-Base interactions energy: -321.153
where: short stacking energy: -144.203
Base-Backbone interact. energy: -0.934
local terms energy: -188.162779
where:
bonds (distance) C4'-P energy: -34.412
bonds (distance) P-C4' energy: -41.331
flat angles C4'-P-C4' energy: -42.310
flat angles P-C4'-P energy: -35.425
tors. eta vs tors. theta energy: -34.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -438.618298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.618298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.618298 (E_RNA)
where:
Base-Base interactions energy: -262.771
where: short stacking energy: -132.576
Base-Backbone interact. energy: -0.841
local terms energy: -175.006486
where:
bonds (distance) C4'-P energy: -33.464
bonds (distance) P-C4' energy: -39.913
flat angles C4'-P-C4' energy: -44.372
flat angles P-C4'-P energy: -22.122
tors. eta vs tors. theta energy: -35.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -378.826409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.826409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.826409 (E_RNA)
where:
Base-Base interactions energy: -216.210
where: short stacking energy: -104.609
Base-Backbone interact. energy: -1.109
local terms energy: -161.506803
where:
bonds (distance) C4'-P energy: -36.624
bonds (distance) P-C4' energy: -37.983
flat angles C4'-P-C4' energy: -46.397
flat angles P-C4'-P energy: -21.463
tors. eta vs tors. theta energy: -19.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -299.391845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.391845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.391845 (E_RNA)
where:
Base-Base interactions energy: -141.548
where: short stacking energy: -104.729
Base-Backbone interact. energy: 1.977
local terms energy: -159.820473
where:
bonds (distance) C4'-P energy: -36.057
bonds (distance) P-C4' energy: -43.454
flat angles C4'-P-C4' energy: -38.237
flat angles P-C4'-P energy: -23.114
tors. eta vs tors. theta energy: -18.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -274.167905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.167905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.167905 (E_RNA)
where:
Base-Base interactions energy: -117.448
where: short stacking energy: -71.146
Base-Backbone interact. energy: -0.421
local terms energy: -156.299345
where:
bonds (distance) C4'-P energy: -46.587
bonds (distance) P-C4' energy: -39.786
flat angles C4'-P-C4' energy: -34.680
flat angles P-C4'-P energy: -25.454
tors. eta vs tors. theta energy: -9.792
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: 6, replica: 9
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -292.694004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.694004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.694004 (E_RNA)
where:
Base-Base interactions energy: -144.484
where: short stacking energy: -90.386
Base-Backbone interact. energy: -1.609
local terms energy: -146.601218
where:
bonds (distance) C4'-P energy: -32.304
bonds (distance) P-C4' energy: -39.234
flat angles C4'-P-C4' energy: -28.812
flat angles P-C4'-P energy: -28.740
tors. eta vs tors. theta energy: -17.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -284.439501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.439501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.439501 (E_RNA)
where:
Base-Base interactions energy: -133.280
where: short stacking energy: -89.232
Base-Backbone interact. energy: -1.095
local terms energy: -150.064704
where:
bonds (distance) C4'-P energy: -33.283
bonds (distance) P-C4' energy: -40.158
flat angles C4'-P-C4' energy: -32.517
flat angles P-C4'-P energy: -21.441
tors. eta vs tors. theta energy: -22.665
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: 8, replica: 6
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -192.803914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.803914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.803914 (E_RNA)
where:
Base-Base interactions energy: -66.168
where: short stacking energy: -64.418
Base-Backbone interact. energy: -0.906
local terms energy: -125.729603
where:
bonds (distance) C4'-P energy: -40.788
bonds (distance) P-C4' energy: -35.967
flat angles C4'-P-C4' energy: -33.847
flat angles P-C4'-P energy: -2.352
tors. eta vs tors. theta energy: -12.775
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: 5
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -184.545523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.545523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.545523 (E_RNA)
where:
Base-Base interactions energy: -73.879
where: short stacking energy: -59.128
Base-Backbone interact. energy: 0.164
local terms energy: -110.830120
where:
bonds (distance) C4'-P energy: -36.622
bonds (distance) P-C4' energy: -29.447
flat angles C4'-P-C4' energy: -29.134
flat angles P-C4'-P energy: -17.457
tors. eta vs tors. theta energy: 1.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -174.329609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.329609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.329609 (E_RNA)
where:
Base-Base interactions energy: -60.647
where: short stacking energy: -31.065
Base-Backbone interact. energy: -0.546
local terms energy: -113.137136
where:
bonds (distance) C4'-P energy: -31.722
bonds (distance) P-C4' energy: -36.872
flat angles C4'-P-C4' energy: -24.048
flat angles P-C4'-P energy: -20.107
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: 1, replica: 4
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -526.123175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.123175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.123175 (E_RNA)
where:
Base-Base interactions energy: -327.059
where: short stacking energy: -149.194
Base-Backbone interact. energy: -0.627
local terms energy: -198.437352
where:
bonds (distance) C4'-P energy: -40.672
bonds (distance) P-C4' energy: -36.855
flat angles C4'-P-C4' energy: -46.463
flat angles P-C4'-P energy: -31.993
tors. eta vs tors. theta energy: -42.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -452.140369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.140369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.140369 (E_RNA)
where:
Base-Base interactions energy: -252.674
where: short stacking energy: -133.437
Base-Backbone interact. energy: -0.895
local terms energy: -198.570895
where:
bonds (distance) C4'-P energy: -44.965
bonds (distance) P-C4' energy: -45.715
flat angles C4'-P-C4' energy: -40.109
flat angles P-C4'-P energy: -32.143
tors. eta vs tors. theta energy: -35.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -388.054807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.054807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.054807 (E_RNA)
where:
Base-Base interactions energy: -217.230
where: short stacking energy: -96.832
Base-Backbone interact. energy: -1.177
local terms energy: -169.647806
where:
bonds (distance) C4'-P energy: -38.041
bonds (distance) P-C4' energy: -45.749
flat angles C4'-P-C4' energy: -39.161
flat angles P-C4'-P energy: -24.307
tors. eta vs tors. theta energy: -22.389
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: 2
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -294.837951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.837951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.837951 (E_RNA)
where:
Base-Base interactions energy: -140.743
where: short stacking energy: -103.610
Base-Backbone interact. energy: -2.137
local terms energy: -151.958063
where:
bonds (distance) C4'-P energy: -33.414
bonds (distance) P-C4' energy: -42.396
flat angles C4'-P-C4' energy: -37.309
flat angles P-C4'-P energy: -20.652
tors. eta vs tors. theta energy: -18.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -287.622399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.622399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.622399 (E_RNA)
where:
Base-Base interactions energy: -134.970
where: short stacking energy: -114.985
Base-Backbone interact. energy: -0.935
local terms energy: -151.717240
where:
bonds (distance) C4'-P energy: -35.347
bonds (distance) P-C4' energy: -33.170
flat angles C4'-P-C4' energy: -42.995
flat angles P-C4'-P energy: -21.150
tors. eta vs tors. theta energy: -19.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -324.723945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.723945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.723945 (E_RNA)
where:
Base-Base interactions energy: -181.631
where: short stacking energy: -102.689
Base-Backbone interact. energy: -1.033
local terms energy: -142.059742
where:
bonds (distance) C4'-P energy: -37.131
bonds (distance) P-C4' energy: -33.506
flat angles C4'-P-C4' energy: -29.507
flat angles P-C4'-P energy: -21.817
tors. eta vs tors. theta energy: -20.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -307.761978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.761978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.761978 (E_RNA)
where:
Base-Base interactions energy: -166.493
where: short stacking energy: -88.539
Base-Backbone interact. energy: 2.580
local terms energy: -143.849056
where:
bonds (distance) C4'-P energy: -36.818
bonds (distance) P-C4' energy: -39.454
flat angles C4'-P-C4' energy: -36.522
flat angles P-C4'-P energy: -18.004
tors. eta vs tors. theta energy: -13.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -193.560626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.560626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.560626 (E_RNA)
where:
Base-Base interactions energy: -66.582
where: short stacking energy: -56.852
Base-Backbone interact. energy: -1.525
local terms energy: -125.453325
where:
bonds (distance) C4'-P energy: -30.934
bonds (distance) P-C4' energy: -40.343
flat angles C4'-P-C4' energy: -32.719
flat angles P-C4'-P energy: -14.903
tors. eta vs tors. theta energy: -6.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -186.447486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.447486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.447486 (E_RNA)
where:
Base-Base interactions energy: -52.941
where: short stacking energy: -41.909
Base-Backbone interact. energy: -0.936
local terms energy: -132.570640
where:
bonds (distance) C4'-P energy: -34.873
bonds (distance) P-C4' energy: -42.069
flat angles C4'-P-C4' energy: -33.685
flat angles P-C4'-P energy: -24.369
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: 8
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -178.526596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.526596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.526596 (E_RNA)
where:
Base-Base interactions energy: -57.953
where: short stacking energy: -44.766
Base-Backbone interact. energy: -1.083
local terms energy: -119.490974
where:
bonds (distance) C4'-P energy: -46.297
bonds (distance) P-C4' energy: -23.406
flat angles C4'-P-C4' energy: -28.121
flat angles P-C4'-P energy: -23.488
tors. eta vs tors. theta energy: 1.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -525.222438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.222438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.222438 (E_RNA)
where:
Base-Base interactions energy: -323.569
where: short stacking energy: -162.238
Base-Backbone interact. energy: -0.009
local terms energy: -201.644931
where:
bonds (distance) C4'-P energy: -40.604
bonds (distance) P-C4' energy: -41.817
flat angles C4'-P-C4' energy: -44.566
flat angles P-C4'-P energy: -26.341
tors. eta vs tors. theta energy: -48.315
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: 7
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -447.440803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.440803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.440803 (E_RNA)
where:
Base-Base interactions energy: -259.165
where: short stacking energy: -134.281
Base-Backbone interact. energy: -0.638
local terms energy: -187.638096
where:
bonds (distance) C4'-P energy: -41.597
bonds (distance) P-C4' energy: -43.971
flat angles C4'-P-C4' energy: -36.722
flat angles P-C4'-P energy: -29.323
tors. eta vs tors. theta energy: -36.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -414.587981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.587981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.587981 (E_RNA)
where:
Base-Base interactions energy: -254.880
where: short stacking energy: -99.882
Base-Backbone interact. energy: -2.150
local terms energy: -157.558002
where:
bonds (distance) C4'-P energy: -35.902
bonds (distance) P-C4' energy: -38.188
flat angles C4'-P-C4' energy: -38.111
flat angles P-C4'-P energy: -24.774
tors. eta vs tors. theta energy: -20.583
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: 4, replica: 2
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -274.108312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.108312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.108312 (E_RNA)
where:
Base-Base interactions energy: -127.194
where: short stacking energy: -91.917
Base-Backbone interact. energy: 0.831
local terms energy: -147.745393
where:
bonds (distance) C4'-P energy: -36.251
bonds (distance) P-C4' energy: -40.672
flat angles C4'-P-C4' energy: -35.253
flat angles P-C4'-P energy: -22.875
tors. eta vs tors. theta energy: -12.694
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: 10
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -381.039964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.039964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.039964 (E_RNA)
where:
Base-Base interactions energy: -227.442
where: short stacking energy: -145.234
Base-Backbone interact. energy: -0.601
local terms energy: -152.997086
where:
bonds (distance) C4'-P energy: -31.222
bonds (distance) P-C4' energy: -26.329
flat angles C4'-P-C4' energy: -35.733
flat angles P-C4'-P energy: -23.837
tors. eta vs tors. theta energy: -35.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -306.228126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.228126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.228126 (E_RNA)
where:
Base-Base interactions energy: -171.142
where: short stacking energy: -100.022
Base-Backbone interact. energy: -0.722
local terms energy: -134.364391
where:
bonds (distance) C4'-P energy: -28.064
bonds (distance) P-C4' energy: -40.361
flat angles C4'-P-C4' energy: -38.710
flat angles P-C4'-P energy: -10.243
tors. eta vs tors. theta energy: -16.987
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: 7, replica: 9
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -319.952273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.952273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.952273 (E_RNA)
where:
Base-Base interactions energy: -171.815
where: short stacking energy: -98.375
Base-Backbone interact. energy: -1.151
local terms energy: -146.986713
where:
bonds (distance) C4'-P energy: -35.570
bonds (distance) P-C4' energy: -32.835
flat angles C4'-P-C4' energy: -32.279
flat angles P-C4'-P energy: -21.388
tors. eta vs tors. theta energy: -24.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -210.717410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.717410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.717410 (E_RNA)
where:
Base-Base interactions energy: -86.698
where: short stacking energy: -67.403
Base-Backbone interact. energy: 1.609
local terms energy: -125.628480
where:
bonds (distance) C4'-P energy: -37.058
bonds (distance) P-C4' energy: -32.843
flat angles C4'-P-C4' energy: -26.083
flat angles P-C4'-P energy: -28.933
tors. eta vs tors. theta energy: -0.711
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: 8
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -193.983683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.983683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.983683 (E_RNA)
where:
Base-Base interactions energy: -56.186
where: short stacking energy: -53.420
Base-Backbone interact. energy: -0.019
local terms energy: -137.778158
where:
bonds (distance) C4'-P energy: -32.948
bonds (distance) P-C4' energy: -34.972
flat angles C4'-P-C4' energy: -41.910
flat angles P-C4'-P energy: -22.247
tors. eta vs tors. theta energy: -5.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -172.949714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.949714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.949714 (E_RNA)
where:
Base-Base interactions energy: -66.173
where: short stacking energy: -44.373
Base-Backbone interact. energy: -1.088
local terms energy: -105.688071
where:
bonds (distance) C4'-P energy: -31.071
bonds (distance) P-C4' energy: -26.527
flat angles C4'-P-C4' energy: -31.603
flat angles P-C4'-P energy: -19.920
tors. eta vs tors. theta energy: 3.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -546.797663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.797663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.797663 (E_RNA)
where:
Base-Base interactions energy: -340.017
where: short stacking energy: -150.314
Base-Backbone interact. energy: -2.824
local terms energy: -203.956392
where:
bonds (distance) C4'-P energy: -40.712
bonds (distance) P-C4' energy: -41.223
flat angles C4'-P-C4' energy: -46.407
flat angles P-C4'-P energy: -27.453
tors. eta vs tors. theta energy: -48.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -479.991575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.991575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.991575 (E_RNA)
where:
Base-Base interactions energy: -312.111
where: short stacking energy: -122.764
Base-Backbone interact. energy: -1.582
local terms energy: -166.298518
where:
bonds (distance) C4'-P energy: -28.496
bonds (distance) P-C4' energy: -41.130
flat angles C4'-P-C4' energy: -42.262
flat angles P-C4'-P energy: -22.351
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: 3, replica: 7
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -457.643513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.643513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.643513 (E_RNA)
where:
Base-Base interactions energy: -285.731
where: short stacking energy: -136.519
Base-Backbone interact. energy: -0.567
local terms energy: -171.345836
where:
bonds (distance) C4'-P energy: -38.809
bonds (distance) P-C4' energy: -41.806
flat angles C4'-P-C4' energy: -37.385
flat angles P-C4'-P energy: -18.219
tors. eta vs tors. theta energy: -35.127
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: 11
Temperature: 1.050000
Total energy: -381.573263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.573263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.573263 (E_RNA)
where:
Base-Base interactions energy: -220.585
where: short stacking energy: -96.837
Base-Backbone interact. energy: -1.166
local terms energy: -159.822055
where:
bonds (distance) C4'-P energy: -40.868
bonds (distance) P-C4' energy: -42.631
flat angles C4'-P-C4' energy: -38.101
flat angles P-C4'-P energy: -24.867
tors. eta vs tors. theta energy: -13.355
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: 2
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -286.114638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.114638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.114638 (E_RNA)
where:
Base-Base interactions energy: -154.528
where: short stacking energy: -88.155
Base-Backbone interact. energy: -0.722
local terms energy: -130.864357
where:
bonds (distance) C4'-P energy: -27.630
bonds (distance) P-C4' energy: -38.978
flat angles C4'-P-C4' energy: -31.646
flat angles P-C4'-P energy: -25.010
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: 6, replica: 9
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -360.374970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.374970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.374970 (E_RNA)
where:
Base-Base interactions energy: -232.573
where: short stacking energy: -115.610
Base-Backbone interact. energy: 3.141
local terms energy: -130.943748
where:
bonds (distance) C4'-P energy: -27.374
bonds (distance) P-C4' energy: -33.741
flat angles C4'-P-C4' energy: -40.394
flat angles P-C4'-P energy: -14.238
tors. eta vs tors. theta energy: -15.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -252.693442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.693442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.693442 (E_RNA)
where:
Base-Base interactions energy: -106.936
where: short stacking energy: -79.032
Base-Backbone interact. energy: -0.802
local terms energy: -144.954734
where:
bonds (distance) C4'-P energy: -31.812
bonds (distance) P-C4' energy: -46.111
flat angles C4'-P-C4' energy: -36.139
flat angles P-C4'-P energy: -17.750
tors. eta vs tors. theta energy: -13.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -217.139037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.139037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.139037 (E_RNA)
where:
Base-Base interactions energy: -84.840
where: short stacking energy: -72.923
Base-Backbone interact. energy: 3.855
local terms energy: -136.154043
where:
bonds (distance) C4'-P energy: -34.920
bonds (distance) P-C4' energy: -38.590
flat angles C4'-P-C4' energy: -30.497
flat angles P-C4'-P energy: -24.867
tors. eta vs tors. theta energy: -7.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -176.901576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.901576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.901576 (E_RNA)
where:
Base-Base interactions energy: -66.324
where: short stacking energy: -57.294
Base-Backbone interact. energy: -0.296
local terms energy: -110.281442
where:
bonds (distance) C4'-P energy: -35.924
bonds (distance) P-C4' energy: -36.146
flat angles C4'-P-C4' energy: -28.498
flat angles P-C4'-P energy: -9.411
tors. eta vs tors. theta energy: -0.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -171.327415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.327415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.327415 (E_RNA)
where:
Base-Base interactions energy: -60.369
where: short stacking energy: -47.654
Base-Backbone interact. energy: 2.280
local terms energy: -113.238779
where:
bonds (distance) C4'-P energy: -27.822
bonds (distance) P-C4' energy: -39.462
flat angles C4'-P-C4' energy: -22.984
flat angles P-C4'-P energy: -17.565
tors. eta vs tors. theta energy: -5.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -540.375191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.375191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.375191 (E_RNA)
where:
Base-Base interactions energy: -333.724
where: short stacking energy: -170.471
Base-Backbone interact. energy: -1.005
local terms energy: -205.645788
where:
bonds (distance) C4'-P energy: -41.169
bonds (distance) P-C4' energy: -40.250
flat angles C4'-P-C4' energy: -44.617
flat angles P-C4'-P energy: -27.494
tors. eta vs tors. theta energy: -52.116
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: 1
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -492.996930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.996930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.996930 (E_RNA)
where:
Base-Base interactions energy: -314.215
where: short stacking energy: -129.734
Base-Backbone interact. energy: -1.242
local terms energy: -177.539985
where:
bonds (distance) C4'-P energy: -36.140
bonds (distance) P-C4' energy: -40.473
flat angles C4'-P-C4' energy: -38.113
flat angles P-C4'-P energy: -30.627
tors. eta vs tors. theta energy: -32.187
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: 3, replica: 7
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -477.713362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.713362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.713362 (E_RNA)
where:
Base-Base interactions energy: -301.599
where: short stacking energy: -137.484
Base-Backbone interact. energy: -1.604
local terms energy: -174.510689
where:
bonds (distance) C4'-P energy: -37.652
bonds (distance) P-C4' energy: -37.250
flat angles C4'-P-C4' energy: -38.796
flat angles P-C4'-P energy: -24.552
tors. eta vs tors. theta energy: -36.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -394.248666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.248666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.248666 (E_RNA)
where:
Base-Base interactions energy: -217.037
where: short stacking energy: -121.777
Base-Backbone interact. energy: 0.036
local terms energy: -177.247746
where:
bonds (distance) C4'-P energy: -39.509
bonds (distance) P-C4' energy: -39.531
flat angles C4'-P-C4' energy: -43.701
flat angles P-C4'-P energy: -27.238
tors. eta vs tors. theta energy: -27.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -388.494833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.494833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.494833 (E_RNA)
where:
Base-Base interactions energy: -236.287
where: short stacking energy: -94.190
Base-Backbone interact. energy: -1.742
local terms energy: -150.465751
where:
bonds (distance) C4'-P energy: -36.745
bonds (distance) P-C4' energy: -39.854
flat angles C4'-P-C4' energy: -33.107
flat angles P-C4'-P energy: -24.104
tors. eta vs tors. theta energy: -16.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -310.190135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.190135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.190135 (E_RNA)
where:
Base-Base interactions energy: -170.514
where: short stacking energy: -77.083
Base-Backbone interact. energy: -0.341
local terms energy: -139.334505
where:
bonds (distance) C4'-P energy: -32.956
bonds (distance) P-C4' energy: -36.492
flat angles C4'-P-C4' energy: -39.513
flat angles P-C4'-P energy: -20.817
tors. eta vs tors. theta energy: -9.557
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: 3
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -211.064779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.064779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.064779 (E_RNA)
where:
Base-Base interactions energy: -73.262
where: short stacking energy: -63.631
Base-Backbone interact. energy: -1.443
local terms energy: -136.359566
where:
bonds (distance) C4'-P energy: -35.786
bonds (distance) P-C4' energy: -35.637
flat angles C4'-P-C4' energy: -36.925
flat angles P-C4'-P energy: -25.296
tors. eta vs tors. theta energy: -2.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -195.944586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.944586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.944586 (E_RNA)
where:
Base-Base interactions energy: -72.453
where: short stacking energy: -58.453
Base-Backbone interact. energy: -1.632
local terms energy: -121.859411
where:
bonds (distance) C4'-P energy: -27.466
bonds (distance) P-C4' energy: -36.698
flat angles C4'-P-C4' energy: -41.242
flat angles P-C4'-P energy: -16.403
tors. eta vs tors. theta energy: -0.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -189.686029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.686029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.686029 (E_RNA)
where:
Base-Base interactions energy: -64.873
where: short stacking energy: -41.931
Base-Backbone interact. energy: 1.240
local terms energy: -126.053507
where:
bonds (distance) C4'-P energy: -30.620
bonds (distance) P-C4' energy: -38.626
flat angles C4'-P-C4' energy: -37.741
flat angles P-C4'-P energy: -21.205
tors. eta vs tors. theta energy: 2.139
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: 6
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -217.629392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.629392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.629392 (E_RNA)
where:
Base-Base interactions energy: -93.027
where: short stacking energy: -64.639
Base-Backbone interact. energy: -0.517
local terms energy: -124.085324
where:
bonds (distance) C4'-P energy: -37.975
bonds (distance) P-C4' energy: -33.139
flat angles C4'-P-C4' energy: -30.726
flat angles P-C4'-P energy: -14.454
tors. eta vs tors. theta energy: -7.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -557.113202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.113202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.113202 (E_RNA)
where:
Base-Base interactions energy: -350.350
where: short stacking energy: -157.922
Base-Backbone interact. energy: 1.238
local terms energy: -208.001568
where:
bonds (distance) C4'-P energy: -37.080
bonds (distance) P-C4' energy: -43.835
flat angles C4'-P-C4' energy: -44.337
flat angles P-C4'-P energy: -37.936
tors. eta vs tors. theta energy: -44.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -525.514951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.514951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.514951 (E_RNA)
where:
Base-Base interactions energy: -331.416
where: short stacking energy: -141.540
Base-Backbone interact. energy: -0.487
local terms energy: -193.611887
where:
bonds (distance) C4'-P energy: -36.058
bonds (distance) P-C4' energy: -40.365
flat angles C4'-P-C4' energy: -48.677
flat angles P-C4'-P energy: -35.764
tors. eta vs tors. theta energy: -32.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -458.145819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.145819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.145819 (E_RNA)
where:
Base-Base interactions energy: -277.912
where: short stacking energy: -126.381
Base-Backbone interact. energy: -0.758
local terms energy: -179.476574
where:
bonds (distance) C4'-P energy: -42.367
bonds (distance) P-C4' energy: -35.026
flat angles C4'-P-C4' energy: -40.664
flat angles P-C4'-P energy: -27.464
tors. eta vs tors. theta energy: -33.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -381.373854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.373854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.373854 (E_RNA)
where:
Base-Base interactions energy: -220.989
where: short stacking energy: -111.966
Base-Backbone interact. energy: -0.402
local terms energy: -159.983616
where:
bonds (distance) C4'-P energy: -41.163
bonds (distance) P-C4' energy: -33.139
flat angles C4'-P-C4' energy: -29.934
flat angles P-C4'-P energy: -23.195
tors. eta vs tors. theta energy: -32.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -419.646514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.646514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.646514 (E_RNA)
where:
Base-Base interactions energy: -258.018
where: short stacking energy: -120.868
Base-Backbone interact. energy: -1.563
local terms energy: -160.065473
where:
bonds (distance) C4'-P energy: -38.932
bonds (distance) P-C4' energy: -38.635
flat angles C4'-P-C4' energy: -38.296
flat angles P-C4'-P energy: -16.503
tors. eta vs tors. theta energy: -27.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -310.609361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.609361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.609361 (E_RNA)
where:
Base-Base interactions energy: -163.878
where: short stacking energy: -88.344
Base-Backbone interact. energy: -0.257
local terms energy: -146.475143
where:
bonds (distance) C4'-P energy: -40.312
bonds (distance) P-C4' energy: -35.799
flat angles C4'-P-C4' energy: -38.865
flat angles P-C4'-P energy: -9.606
tors. eta vs tors. theta energy: -21.894
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: 13
Temperature: 1.200000
Total energy: -257.371864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.371864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.371864 (E_RNA)
where:
Base-Base interactions energy: -131.803
where: short stacking energy: -65.214
Base-Backbone interact. energy: -0.490
local terms energy: -125.079360
where:
bonds (distance) C4'-P energy: -33.521
bonds (distance) P-C4' energy: -33.755
flat angles C4'-P-C4' energy: -37.267
flat angles P-C4'-P energy: -15.706
tors. eta vs tors. theta energy: -4.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -209.906681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.906681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.906681 (E_RNA)
where:
Base-Base interactions energy: -96.146
where: short stacking energy: -61.748
Base-Backbone interact. energy: -1.585
local terms energy: -112.175295
where:
bonds (distance) C4'-P energy: -37.650
bonds (distance) P-C4' energy: -27.018
flat angles C4'-P-C4' energy: -30.065
flat angles P-C4'-P energy: -18.053
tors. eta vs tors. theta energy: 0.611
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: 8
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -178.448014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.448014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.448014 (E_RNA)
where:
Base-Base interactions energy: -63.632
where: short stacking energy: -52.757
Base-Backbone interact. energy: -0.683
local terms energy: -114.132842
where:
bonds (distance) C4'-P energy: -34.768
bonds (distance) P-C4' energy: -29.925
flat angles C4'-P-C4' energy: -35.059
flat angles P-C4'-P energy: -18.528
tors. eta vs tors. theta energy: 4.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -216.696173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.696173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.696173 (E_RNA)
where:
Base-Base interactions energy: -93.203
where: short stacking energy: -66.397
Base-Backbone interact. energy: 2.484
local terms energy: -125.977073
where:
bonds (distance) C4'-P energy: -43.083
bonds (distance) P-C4' energy: -38.398
flat angles C4'-P-C4' energy: -28.721
flat angles P-C4'-P energy: -10.479
tors. eta vs tors. theta energy: -5.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -538.018691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.018691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.018691 (E_RNA)
where:
Base-Base interactions energy: -345.121
where: short stacking energy: -151.633
Base-Backbone interact. energy: -0.286
local terms energy: -192.611841
where:
bonds (distance) C4'-P energy: -44.888
bonds (distance) P-C4' energy: -36.848
flat angles C4'-P-C4' energy: -37.617
flat angles P-C4'-P energy: -30.797
tors. eta vs tors. theta energy: -42.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -542.224570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.224570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.224570 (E_RNA)
where:
Base-Base interactions energy: -348.397
where: short stacking energy: -163.621
Base-Backbone interact. energy: -0.261
local terms energy: -193.566423
where:
bonds (distance) C4'-P energy: -27.551
bonds (distance) P-C4' energy: -43.022
flat angles C4'-P-C4' energy: -47.240
flat angles P-C4'-P energy: -25.688
tors. eta vs tors. theta energy: -50.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -439.061178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.061178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.061178 (E_RNA)
where:
Base-Base interactions energy: -251.958
where: short stacking energy: -138.618
Base-Backbone interact. energy: -0.189
local terms energy: -186.914500
where:
bonds (distance) C4'-P energy: -37.224
bonds (distance) P-C4' energy: -40.389
flat angles C4'-P-C4' energy: -39.480
flat angles P-C4'-P energy: -26.861
tors. eta vs tors. theta energy: -42.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -457.710596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.710596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.710596 (E_RNA)
where:
Base-Base interactions energy: -276.745
where: short stacking energy: -105.489
Base-Backbone interact. energy: -0.283
local terms energy: -180.682704
where:
bonds (distance) C4'-P energy: -39.682
bonds (distance) P-C4' energy: -34.494
flat angles C4'-P-C4' energy: -36.885
flat angles P-C4'-P energy: -30.253
tors. eta vs tors. theta energy: -39.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -421.644878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.644878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.644878 (E_RNA)
where:
Base-Base interactions energy: -268.711
where: short stacking energy: -123.943
Base-Backbone interact. energy: -2.347
local terms energy: -150.587121
where:
bonds (distance) C4'-P energy: -34.119
bonds (distance) P-C4' energy: -29.087
flat angles C4'-P-C4' energy: -35.963
flat angles P-C4'-P energy: -23.503
tors. eta vs tors. theta energy: -27.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -256.049921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.049921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.049921 (E_RNA)
where:
Base-Base interactions energy: -118.773
where: short stacking energy: -84.676
Base-Backbone interact. energy: -0.387
local terms energy: -136.889347
where:
bonds (distance) C4'-P energy: -33.210
bonds (distance) P-C4' energy: -36.247
flat angles C4'-P-C4' energy: -28.352
flat angles P-C4'-P energy: -19.017
tors. eta vs tors. theta energy: -20.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -231.581125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.581125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.581125 (E_RNA)
where:
Base-Base interactions energy: -121.289
where: short stacking energy: -68.279
Base-Backbone interact. energy: -1.790
local terms energy: -108.501881
where:
bonds (distance) C4'-P energy: -23.292
bonds (distance) P-C4' energy: -38.633
flat angles C4'-P-C4' energy: -26.794
flat angles P-C4'-P energy: -16.683
tors. eta vs tors. theta energy: -3.099
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: 5
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -202.192034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.192034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.192034 (E_RNA)
where:
Base-Base interactions energy: -75.797
where: short stacking energy: -62.228
Base-Backbone interact. energy: 0.555
local terms energy: -126.949412
where:
bonds (distance) C4'-P energy: -27.965
bonds (distance) P-C4' energy: -35.375
flat angles C4'-P-C4' energy: -39.347
flat angles P-C4'-P energy: -18.862
tors. eta vs tors. theta energy: -5.401
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: 8
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -178.840287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.840287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.840287 (E_RNA)
where:
Base-Base interactions energy: -70.010
where: short stacking energy: -48.565
Base-Backbone interact. energy: -0.272
local terms energy: -108.557980
where:
bonds (distance) C4'-P energy: -35.674
bonds (distance) P-C4' energy: -30.691
flat angles C4'-P-C4' energy: -30.062
flat angles P-C4'-P energy: -17.226
tors. eta vs tors. theta energy: 5.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -187.411647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.411647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.411647 (E_RNA)
where:
Base-Base interactions energy: -63.047
where: short stacking energy: -46.238
Base-Backbone interact. energy: 4.748
local terms energy: -129.112996
where:
bonds (distance) C4'-P energy: -37.768
bonds (distance) P-C4' energy: -44.864
flat angles C4'-P-C4' energy: -26.629
flat angles P-C4'-P energy: -23.976
tors. eta vs tors. theta energy: 4.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -559.498027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.498027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.498027 (E_RNA)
where:
Base-Base interactions energy: -359.618
where: short stacking energy: -144.101
Base-Backbone interact. energy: -0.124
local terms energy: -199.755793
where:
bonds (distance) C4'-P energy: -43.793
bonds (distance) P-C4' energy: -38.418
flat angles C4'-P-C4' energy: -44.480
flat angles P-C4'-P energy: -32.952
tors. eta vs tors. theta energy: -40.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -516.236525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.236525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.236525 (E_RNA)
where:
Base-Base interactions energy: -324.444
where: short stacking energy: -170.314
Base-Backbone interact. energy: -0.462
local terms energy: -191.330171
where:
bonds (distance) C4'-P energy: -44.797
bonds (distance) P-C4' energy: -44.106
flat angles C4'-P-C4' energy: -33.133
flat angles P-C4'-P energy: -24.889
tors. eta vs tors. theta energy: -44.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -422.371959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.371959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.371959 (E_RNA)
where:
Base-Base interactions energy: -238.558
where: short stacking energy: -136.934
Base-Backbone interact. energy: 2.764
local terms energy: -186.578211
where:
bonds (distance) C4'-P energy: -39.583
bonds (distance) P-C4' energy: -41.014
flat angles C4'-P-C4' energy: -46.148
flat angles P-C4'-P energy: -26.760
tors. eta vs tors. theta energy: -33.073
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: 7
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -446.372671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.372671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.372671 (E_RNA)
where:
Base-Base interactions energy: -268.105
where: short stacking energy: -133.970
Base-Backbone interact. energy: -0.377
local terms energy: -177.891219
where:
bonds (distance) C4'-P energy: -31.819
bonds (distance) P-C4' energy: -39.579
flat angles C4'-P-C4' energy: -34.856
flat angles P-C4'-P energy: -32.489
tors. eta vs tors. theta energy: -39.148
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: 9
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -418.150461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.150461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.150461 (E_RNA)
where:
Base-Base interactions energy: -246.667
where: short stacking energy: -128.114
Base-Backbone interact. energy: -1.559
local terms energy: -169.924036
where:
bonds (distance) C4'-P energy: -35.869
bonds (distance) P-C4' energy: -40.556
flat angles C4'-P-C4' energy: -29.897
flat angles P-C4'-P energy: -27.455
tors. eta vs tors. theta energy: -36.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -250.001222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.001222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.001222 (E_RNA)
where:
Base-Base interactions energy: -112.714
where: short stacking energy: -79.722
Base-Backbone interact. energy: -2.491
local terms energy: -134.796007
where:
bonds (distance) C4'-P energy: -35.454
bonds (distance) P-C4' energy: -30.914
flat angles C4'-P-C4' energy: -36.034
flat angles P-C4'-P energy: -20.308
tors. eta vs tors. theta energy: -12.086
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: 7, replica: 2
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -223.715843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.715843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.715843 (E_RNA)
where:
Base-Base interactions energy: -95.094
where: short stacking energy: -73.440
Base-Backbone interact. energy: -0.109
local terms energy: -128.512363
where:
bonds (distance) C4'-P energy: -26.394
bonds (distance) P-C4' energy: -42.000
flat angles C4'-P-C4' energy: -35.572
flat angles P-C4'-P energy: -17.097
tors. eta vs tors. theta energy: -7.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -184.075450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.075450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.075450 (E_RNA)
where:
Base-Base interactions energy: -79.863
where: short stacking energy: -62.165
Base-Backbone interact. energy: 1.672
local terms energy: -105.883795
where:
bonds (distance) C4'-P energy: -34.304
bonds (distance) P-C4' energy: -28.111
flat angles C4'-P-C4' energy: -28.013
flat angles P-C4'-P energy: -13.679
tors. eta vs tors. theta energy: -1.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -185.357314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.357314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.357314 (E_RNA)
where:
Base-Base interactions energy: -62.770
where: short stacking energy: -50.942
Base-Backbone interact. energy: -1.405
local terms energy: -121.182765
where:
bonds (distance) C4'-P energy: -36.265
bonds (distance) P-C4' energy: -40.621
flat angles C4'-P-C4' energy: -31.201
flat angles P-C4'-P energy: -17.652
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: 6
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -177.747827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.747827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.747827 (E_RNA)
where:
Base-Base interactions energy: -75.183
where: short stacking energy: -52.875
Base-Backbone interact. energy: 1.015
local terms energy: -103.579807
where:
bonds (distance) C4'-P energy: -33.914
bonds (distance) P-C4' energy: -30.909
flat angles C4'-P-C4' energy: -34.589
flat angles P-C4'-P energy: -3.613
tors. eta vs tors. theta energy: -0.555
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: 1
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -556.015722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.015722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.015722 (E_RNA)
where:
Base-Base interactions energy: -375.639
where: short stacking energy: -144.736
Base-Backbone interact. energy: -1.484
local terms energy: -178.893241
where:
bonds (distance) C4'-P energy: -36.430
bonds (distance) P-C4' energy: -37.085
flat angles C4'-P-C4' energy: -41.956
flat angles P-C4'-P energy: -26.296
tors. eta vs tors. theta energy: -37.125
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: 2, replica: 4
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -524.141585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.141585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.141585 (E_RNA)
where:
Base-Base interactions energy: -338.264
where: short stacking energy: -165.408
Base-Backbone interact. energy: -0.487
local terms energy: -185.390023
where:
bonds (distance) C4'-P energy: -31.726
bonds (distance) P-C4' energy: -39.846
flat angles C4'-P-C4' energy: -42.769
flat angles P-C4'-P energy: -25.566
tors. eta vs tors. theta energy: -45.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -431.537436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.537436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.537436 (E_RNA)
where:
Base-Base interactions energy: -276.874
where: short stacking energy: -116.052
Base-Backbone interact. energy: 0.685
local terms energy: -155.348108
where:
bonds (distance) C4'-P energy: -39.127
bonds (distance) P-C4' energy: -42.736
flat angles C4'-P-C4' energy: -31.845
flat angles P-C4'-P energy: -22.834
tors. eta vs tors. theta energy: -18.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -413.916431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.916431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.916431 (E_RNA)
where:
Base-Base interactions energy: -234.492
where: short stacking energy: -134.804
Base-Backbone interact. energy: -0.194
local terms energy: -179.230749
where:
bonds (distance) C4'-P energy: -40.929
bonds (distance) P-C4' energy: -39.995
flat angles C4'-P-C4' energy: -37.338
flat angles P-C4'-P energy: -27.309
tors. eta vs tors. theta energy: -33.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -446.119732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.119732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.119732 (E_RNA)
where:
Base-Base interactions energy: -273.632
where: short stacking energy: -121.838
Base-Backbone interact. energy: 0.249
local terms energy: -172.737110
where:
bonds (distance) C4'-P energy: -34.592
bonds (distance) P-C4' energy: -34.058
flat angles C4'-P-C4' energy: -38.000
flat angles P-C4'-P energy: -36.360
tors. eta vs tors. theta energy: -29.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -333.366191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.366191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.366191 (E_RNA)
where:
Base-Base interactions energy: -185.242
where: short stacking energy: -94.992
Base-Backbone interact. energy: 0.164
local terms energy: -148.287933
where:
bonds (distance) C4'-P energy: -33.191
bonds (distance) P-C4' energy: -32.051
flat angles C4'-P-C4' energy: -41.548
flat angles P-C4'-P energy: -22.265
tors. eta vs tors. theta energy: -19.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -225.171122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.171122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.171122 (E_RNA)
where:
Base-Base interactions energy: -86.473
where: short stacking energy: -67.029
Base-Backbone interact. energy: -1.009
local terms energy: -137.688283
where:
bonds (distance) C4'-P energy: -41.302
bonds (distance) P-C4' energy: -32.202
flat angles C4'-P-C4' energy: -32.110
flat angles P-C4'-P energy: -20.117
tors. eta vs tors. theta energy: -11.957
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: 2
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -179.437349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.437349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.437349 (E_RNA)
where:
Base-Base interactions energy: -65.075
where: short stacking energy: -59.138
Base-Backbone interact. energy: -1.567
local terms energy: -112.795574
where:
bonds (distance) C4'-P energy: -35.225
bonds (distance) P-C4' energy: -35.516
flat angles C4'-P-C4' energy: -25.533
flat angles P-C4'-P energy: -20.340
tors. eta vs tors. theta energy: 3.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -209.644733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.644733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.644733 (E_RNA)
where:
Base-Base interactions energy: -75.487
where: short stacking energy: -68.056
Base-Backbone interact. energy: 0.860
local terms energy: -135.017646
where:
bonds (distance) C4'-P energy: -30.418
bonds (distance) P-C4' energy: -41.086
flat angles C4'-P-C4' energy: -35.952
flat angles P-C4'-P energy: -17.984
tors. eta vs tors. theta energy: -9.579
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: 5
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -173.673229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.673229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.673229 (E_RNA)
where:
Base-Base interactions energy: -66.211
where: short stacking energy: -42.573
Base-Backbone interact. energy: -1.219
local terms energy: -106.243499
where:
bonds (distance) C4'-P energy: -22.813
bonds (distance) P-C4' energy: -37.891
flat angles C4'-P-C4' energy: -25.109
flat angles P-C4'-P energy: -30.143
tors. eta vs tors. theta energy: 9.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -560.458837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.458837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.458837 (E_RNA)
where:
Base-Base interactions energy: -371.212
where: short stacking energy: -158.512
Base-Backbone interact. energy: -0.480
local terms energy: -188.767030
where:
bonds (distance) C4'-P energy: -33.573
bonds (distance) P-C4' energy: -40.991
flat angles C4'-P-C4' energy: -46.252
flat angles P-C4'-P energy: -28.876
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: 4
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -529.506898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.506898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.506898 (E_RNA)
where:
Base-Base interactions energy: -344.123
where: short stacking energy: -148.965
Base-Backbone interact. energy: 1.175
local terms energy: -186.558986
where:
bonds (distance) C4'-P energy: -40.240
bonds (distance) P-C4' energy: -37.135
flat angles C4'-P-C4' energy: -40.550
flat angles P-C4'-P energy: -29.775
tors. eta vs tors. theta energy: -38.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -484.363221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.363221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.363221 (E_RNA)
where:
Base-Base interactions energy: -297.177
where: short stacking energy: -139.884
Base-Backbone interact. energy: 0.443
local terms energy: -187.628887
where:
bonds (distance) C4'-P energy: -44.028
bonds (distance) P-C4' energy: -37.622
flat angles C4'-P-C4' energy: -42.746
flat angles P-C4'-P energy: -26.633
tors. eta vs tors. theta energy: -36.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -448.467088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.467088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.467088 (E_RNA)
where:
Base-Base interactions energy: -281.172
where: short stacking energy: -125.909
Base-Backbone interact. energy: -0.731
local terms energy: -166.563862
where:
bonds (distance) C4'-P energy: -36.595
bonds (distance) P-C4' energy: -38.590
flat angles C4'-P-C4' energy: -36.230
flat angles P-C4'-P energy: -22.828
tors. eta vs tors. theta energy: -32.321
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: 5, replica: 10
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -391.132440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.132440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.132440 (E_RNA)
where:
Base-Base interactions energy: -224.828
where: short stacking energy: -130.011
Base-Backbone interact. energy: -0.298
local terms energy: -166.006617
where:
bonds (distance) C4'-P energy: -37.001
bonds (distance) P-C4' energy: -37.883
flat angles C4'-P-C4' energy: -35.455
flat angles P-C4'-P energy: -28.815
tors. eta vs tors. theta energy: -26.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -328.546312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.546312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.546312 (E_RNA)
where:
Base-Base interactions energy: -196.229
where: short stacking energy: -105.610
Base-Backbone interact. energy: 2.499
local terms energy: -134.816709
where:
bonds (distance) C4'-P energy: -33.533
bonds (distance) P-C4' energy: -36.396
flat angles C4'-P-C4' energy: -27.703
flat angles P-C4'-P energy: -22.694
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: 7, replica: 8
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -235.478245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.478245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.478245 (E_RNA)
where:
Base-Base interactions energy: -110.867
where: short stacking energy: -69.971
Base-Backbone interact. energy: -0.111
local terms energy: -124.501200
where:
bonds (distance) C4'-P energy: -22.517
bonds (distance) P-C4' energy: -38.650
flat angles C4'-P-C4' energy: -37.287
flat angles P-C4'-P energy: -25.515
tors. eta vs tors. theta energy: -0.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -209.144354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.144354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.144354 (E_RNA)
where:
Base-Base interactions energy: -79.505
where: short stacking energy: -54.976
Base-Backbone interact. energy: -0.258
local terms energy: -129.381369
where:
bonds (distance) C4'-P energy: -36.890
bonds (distance) P-C4' energy: -37.901
flat angles C4'-P-C4' energy: -35.575
flat angles P-C4'-P energy: -21.595
tors. eta vs tors. theta energy: 2.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -195.081846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.081846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.081846 (E_RNA)
where:
Base-Base interactions energy: -68.811
where: short stacking energy: -54.312
Base-Backbone interact. energy: 0.041
local terms energy: -126.312258
where:
bonds (distance) C4'-P energy: -37.326
bonds (distance) P-C4' energy: -38.781
flat angles C4'-P-C4' energy: -25.380
flat angles P-C4'-P energy: -18.797
tors. eta vs tors. theta energy: -6.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -172.682320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.682320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.682320 (E_RNA)
where:
Base-Base interactions energy: -70.799
where: short stacking energy: -55.075
Base-Backbone interact. energy: -1.413
local terms energy: -100.471042
where:
bonds (distance) C4'-P energy: -25.313
bonds (distance) P-C4' energy: -38.925
flat angles C4'-P-C4' energy: -33.983
flat angles P-C4'-P energy: -13.398
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: 1, replica: 1
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -555.543008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.543008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.543008 (E_RNA)
where:
Base-Base interactions energy: -351.019
where: short stacking energy: -147.422
Base-Backbone interact. energy: -0.903
local terms energy: -203.620576
where:
bonds (distance) C4'-P energy: -48.300
bonds (distance) P-C4' energy: -42.919
flat angles C4'-P-C4' energy: -45.855
flat angles P-C4'-P energy: -24.578
tors. eta vs tors. theta energy: -41.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -540.666009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.666009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.666009 (E_RNA)
where:
Base-Base interactions energy: -343.289
where: short stacking energy: -150.595
Base-Backbone interact. energy: -0.081
local terms energy: -197.295241
where:
bonds (distance) C4'-P energy: -42.036
bonds (distance) P-C4' energy: -41.626
flat angles C4'-P-C4' energy: -41.270
flat angles P-C4'-P energy: -33.469
tors. eta vs tors. theta energy: -38.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -510.124968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.124968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.124968 (E_RNA)
where:
Base-Base interactions energy: -321.786
where: short stacking energy: -136.031
Base-Backbone interact. energy: 0.281
local terms energy: -188.619783
where:
bonds (distance) C4'-P energy: -37.342
bonds (distance) P-C4' energy: -41.989
flat angles C4'-P-C4' energy: -41.833
flat angles P-C4'-P energy: -26.277
tors. eta vs tors. theta energy: -41.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -455.524558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.524558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.524558 (E_RNA)
where:
Base-Base interactions energy: -289.450
where: short stacking energy: -126.660
Base-Backbone interact. energy: -0.872
local terms energy: -165.202421
where:
bonds (distance) C4'-P energy: -30.501
bonds (distance) P-C4' energy: -35.111
flat angles C4'-P-C4' energy: -40.975
flat angles P-C4'-P energy: -33.793
tors. eta vs tors. theta energy: -24.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -392.291206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.291206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.291206 (E_RNA)
where:
Base-Base interactions energy: -229.257
where: short stacking energy: -116.013
Base-Backbone interact. energy: -0.489
local terms energy: -162.545283
where:
bonds (distance) C4'-P energy: -36.953
bonds (distance) P-C4' energy: -33.159
flat angles C4'-P-C4' energy: -38.571
flat angles P-C4'-P energy: -27.468
tors. eta vs tors. theta energy: -26.395
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: 18
Temperature: 1.150000
Total energy: -273.860415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.860415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.860415 (E_RNA)
where:
Base-Base interactions energy: -121.440
where: short stacking energy: -87.779
Base-Backbone interact. energy: -0.135
local terms energy: -152.285376
where:
bonds (distance) C4'-P energy: -30.741
bonds (distance) P-C4' energy: -41.988
flat angles C4'-P-C4' energy: -41.997
flat angles P-C4'-P energy: -24.776
tors. eta vs tors. theta energy: -12.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -256.816170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.816170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.816170 (E_RNA)
where:
Base-Base interactions energy: -123.128
where: short stacking energy: -69.517
Base-Backbone interact. energy: -0.277
local terms energy: -133.411138
where:
bonds (distance) C4'-P energy: -32.114
bonds (distance) P-C4' energy: -34.533
flat angles C4'-P-C4' energy: -33.818
flat angles P-C4'-P energy: -18.392
tors. eta vs tors. theta energy: -14.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -203.354593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.354593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.354593 (E_RNA)
where:
Base-Base interactions energy: -73.353
where: short stacking energy: -59.295
Base-Backbone interact. energy: -0.300
local terms energy: -129.701383
where:
bonds (distance) C4'-P energy: -37.026
bonds (distance) P-C4' energy: -30.159
flat angles C4'-P-C4' energy: -37.105
flat angles P-C4'-P energy: -25.601
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: 9, replica: 2
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -184.522953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.522953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.522953 (E_RNA)
where:
Base-Base interactions energy: -66.877
where: short stacking energy: -59.557
Base-Backbone interact. energy: -1.203
local terms energy: -116.442866
where:
bonds (distance) C4'-P energy: -24.725
bonds (distance) P-C4' energy: -41.763
flat angles C4'-P-C4' energy: -24.827
flat angles P-C4'-P energy: -22.583
tors. eta vs tors. theta energy: -2.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -175.404461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.404461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.404461 (E_RNA)
where:
Base-Base interactions energy: -44.258
where: short stacking energy: -44.643
Base-Backbone interact. energy: -1.728
local terms energy: -129.418339
where:
bonds (distance) C4'-P energy: -38.653
bonds (distance) P-C4' energy: -36.965
flat angles C4'-P-C4' energy: -39.164
flat angles P-C4'-P energy: -19.196
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: 1, replica: 1
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -549.854043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.854043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.854043 (E_RNA)
where:
Base-Base interactions energy: -348.517
where: short stacking energy: -162.255
Base-Backbone interact. energy: 1.349
local terms energy: -202.686690
where:
bonds (distance) C4'-P energy: -44.479
bonds (distance) P-C4' energy: -40.910
flat angles C4'-P-C4' energy: -45.307
flat angles P-C4'-P energy: -27.556
tors. eta vs tors. theta energy: -44.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -527.014964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.014964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.014964 (E_RNA)
where:
Base-Base interactions energy: -325.940
where: short stacking energy: -155.956
Base-Backbone interact. energy: -0.935
local terms energy: -200.140023
where:
bonds (distance) C4'-P energy: -41.674
bonds (distance) P-C4' energy: -40.520
flat angles C4'-P-C4' energy: -38.632
flat angles P-C4'-P energy: -31.929
tors. eta vs tors. theta energy: -47.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -506.478416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.478416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.478416 (E_RNA)
where:
Base-Base interactions energy: -327.944
where: short stacking energy: -137.780
Base-Backbone interact. energy: -1.010
local terms energy: -177.524814
where:
bonds (distance) C4'-P energy: -43.516
bonds (distance) P-C4' energy: -40.938
flat angles C4'-P-C4' energy: -34.882
flat angles P-C4'-P energy: -26.374
tors. eta vs tors. theta energy: -31.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -476.258830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.258830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.258830 (E_RNA)
where:
Base-Base interactions energy: -296.612
where: short stacking energy: -127.700
Base-Backbone interact. energy: -1.324
local terms energy: -178.322639
where:
bonds (distance) C4'-P energy: -44.074
bonds (distance) P-C4' energy: -38.648
flat angles C4'-P-C4' energy: -43.458
flat angles P-C4'-P energy: -25.646
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: 5, replica: 9
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -442.433849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.433849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.433849 (E_RNA)
where:
Base-Base interactions energy: -290.486
where: short stacking energy: -134.612
Base-Backbone interact. energy: -1.035
local terms energy: -150.912820
where:
bonds (distance) C4'-P energy: -19.836
bonds (distance) P-C4' energy: -40.184
flat angles C4'-P-C4' energy: -36.434
flat angles P-C4'-P energy: -23.784
tors. eta vs tors. theta energy: -30.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -280.774806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.774806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.774806 (E_RNA)
where:
Base-Base interactions energy: -134.087
where: short stacking energy: -93.981
Base-Backbone interact. energy: -1.008
local terms energy: -145.679854
where:
bonds (distance) C4'-P energy: -38.803
bonds (distance) P-C4' energy: -41.251
flat angles C4'-P-C4' energy: -36.079
flat angles P-C4'-P energy: -19.868
tors. eta vs tors. theta energy: -9.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -243.569874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.569874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.569874 (E_RNA)
where:
Base-Base interactions energy: -123.390
where: short stacking energy: -85.973
Base-Backbone interact. energy: -0.650
local terms energy: -119.529388
where:
bonds (distance) C4'-P energy: -23.717
bonds (distance) P-C4' energy: -32.862
flat angles C4'-P-C4' energy: -30.042
flat angles P-C4'-P energy: -19.559
tors. eta vs tors. theta energy: -13.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -198.628078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.628078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.628078 (E_RNA)
where:
Base-Base interactions energy: -76.986
where: short stacking energy: -58.842
Base-Backbone interact. energy: -0.408
local terms energy: -121.233970
where:
bonds (distance) C4'-P energy: -38.825
bonds (distance) P-C4' energy: -28.769
flat angles C4'-P-C4' energy: -30.871
flat angles P-C4'-P energy: -23.392
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: 9, replica: 6
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -183.134038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.134038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.134038 (E_RNA)
where:
Base-Base interactions energy: -55.220
where: short stacking energy: -51.329
Base-Backbone interact. energy: -0.734
local terms energy: -127.180024
where:
bonds (distance) C4'-P energy: -37.475
bonds (distance) P-C4' energy: -40.488
flat angles C4'-P-C4' energy: -27.789
flat angles P-C4'-P energy: -23.391
tors. eta vs tors. theta energy: 1.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -169.380675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.380675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.380675 (E_RNA)
where:
Base-Base interactions energy: -46.580
where: short stacking energy: -42.631
Base-Backbone interact. energy: -0.467
local terms energy: -122.334440
where:
bonds (distance) C4'-P energy: -37.175
bonds (distance) P-C4' energy: -34.392
flat angles C4'-P-C4' energy: -32.690
flat angles P-C4'-P energy: -12.921
tors. eta vs tors. theta energy: -5.157
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: 1
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -558.646788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.646788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.646788 (E_RNA)
where:
Base-Base interactions energy: -357.564
where: short stacking energy: -166.861
Base-Backbone interact. energy: -1.608
local terms energy: -199.474225
where:
bonds (distance) C4'-P energy: -41.696
bonds (distance) P-C4' energy: -36.810
flat angles C4'-P-C4' energy: -45.670
flat angles P-C4'-P energy: -28.229
tors. eta vs tors. theta energy: -47.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -522.608844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.608844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.608844 (E_RNA)
where:
Base-Base interactions energy: -332.512
where: short stacking energy: -150.769
Base-Backbone interact. energy: 0.817
local terms energy: -190.914141
where:
bonds (distance) C4'-P energy: -32.007
bonds (distance) P-C4' energy: -40.872
flat angles C4'-P-C4' energy: -45.163
flat angles P-C4'-P energy: -28.877
tors. eta vs tors. theta energy: -43.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -513.091092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.091092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.091092 (E_RNA)
where:
Base-Base interactions energy: -325.019
where: short stacking energy: -150.943
Base-Backbone interact. energy: -0.778
local terms energy: -187.293522
where:
bonds (distance) C4'-P energy: -35.621
bonds (distance) P-C4' energy: -34.930
flat angles C4'-P-C4' energy: -38.678
flat angles P-C4'-P energy: -30.356
tors. eta vs tors. theta energy: -47.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -491.839258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.839258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.839258 (E_RNA)
where:
Base-Base interactions energy: -325.024
where: short stacking energy: -155.253
Base-Backbone interact. energy: -3.257
local terms energy: -163.557464
where:
bonds (distance) C4'-P energy: -36.313
bonds (distance) P-C4' energy: -36.585
flat angles C4'-P-C4' energy: -34.999
flat angles P-C4'-P energy: -12.290
tors. eta vs tors. theta energy: -43.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -448.296257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.296257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.296257 (E_RNA)
where:
Base-Base interactions energy: -282.796
where: short stacking energy: -127.581
Base-Backbone interact. energy: -0.565
local terms energy: -164.935309
where:
bonds (distance) C4'-P energy: -43.179
bonds (distance) P-C4' energy: -39.004
flat angles C4'-P-C4' energy: -29.947
flat angles P-C4'-P energy: -25.125
tors. eta vs tors. theta energy: -27.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -265.054864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.054864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.054864 (E_RNA)
where:
Base-Base interactions energy: -122.966
where: short stacking energy: -83.292
Base-Backbone interact. energy: -3.701
local terms energy: -138.387603
where:
bonds (distance) C4'-P energy: -30.613
bonds (distance) P-C4' energy: -42.112
flat angles C4'-P-C4' energy: -37.079
flat angles P-C4'-P energy: -18.717
tors. eta vs tors. theta energy: -9.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -205.998540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.998540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.998540 (E_RNA)
where:
Base-Base interactions energy: -70.692
where: short stacking energy: -55.765
Base-Backbone interact. energy: -1.484
local terms energy: -133.822629
where:
bonds (distance) C4'-P energy: -35.850
bonds (distance) P-C4' energy: -42.852
flat angles C4'-P-C4' energy: -27.125
flat angles P-C4'-P energy: -19.698
tors. eta vs tors. theta energy: -8.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -206.210640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.210640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.210640 (E_RNA)
where:
Base-Base interactions energy: -80.452
where: short stacking energy: -64.901
Base-Backbone interact. energy: -0.079
local terms energy: -125.678874
where:
bonds (distance) C4'-P energy: -27.833
bonds (distance) P-C4' energy: -32.643
flat angles C4'-P-C4' energy: -33.999
flat angles P-C4'-P energy: -17.992
tors. eta vs tors. theta energy: -13.212
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: 9, replica: 5
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -175.589756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.589756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.589756 (E_RNA)
where:
Base-Base interactions energy: -63.293
where: short stacking energy: -49.821
Base-Backbone interact. energy: -0.931
local terms energy: -111.365224
where:
bonds (distance) C4'-P energy: -38.766
bonds (distance) P-C4' energy: -33.448
flat angles C4'-P-C4' energy: -28.073
flat angles P-C4'-P energy: -15.133
tors. eta vs tors. theta energy: 4.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -162.833175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.833175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.833175 (E_RNA)
where:
Base-Base interactions energy: -49.859
where: short stacking energy: -43.977
Base-Backbone interact. energy: -0.734
local terms energy: -112.240556
where:
bonds (distance) C4'-P energy: -26.611
bonds (distance) P-C4' energy: -33.879
flat angles C4'-P-C4' energy: -29.105
flat angles P-C4'-P energy: -15.591
tors. eta vs tors. theta energy: -7.055
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: 1
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -539.893954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.893954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.893954 (E_RNA)
where:
Base-Base interactions energy: -360.652
where: short stacking energy: -145.708
Base-Backbone interact. energy: -0.859
local terms energy: -178.383143
where:
bonds (distance) C4'-P energy: -34.840
bonds (distance) P-C4' energy: -31.625
flat angles C4'-P-C4' energy: -44.423
flat angles P-C4'-P energy: -30.734
tors. eta vs tors. theta energy: -36.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -544.788111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.788111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.788111 (E_RNA)
where:
Base-Base interactions energy: -344.568
where: short stacking energy: -168.050
Base-Backbone interact. energy: -1.277
local terms energy: -198.943340
where:
bonds (distance) C4'-P energy: -40.310
bonds (distance) P-C4' energy: -43.454
flat angles C4'-P-C4' energy: -39.156
flat angles P-C4'-P energy: -22.189
tors. eta vs tors. theta energy: -53.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -511.467794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.467794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.467794 (E_RNA)
where:
Base-Base interactions energy: -315.480
where: short stacking energy: -145.489
Base-Backbone interact. energy: -0.659
local terms energy: -195.328794
where:
bonds (distance) C4'-P energy: -39.997
bonds (distance) P-C4' energy: -45.836
flat angles C4'-P-C4' energy: -40.597
flat angles P-C4'-P energy: -25.892
tors. eta vs tors. theta energy: -43.007
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: 9
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -481.489940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.489940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.489940 (E_RNA)
where:
Base-Base interactions energy: -310.234
where: short stacking energy: -144.124
Base-Backbone interact. energy: -1.620
local terms energy: -169.636092
where:
bonds (distance) C4'-P energy: -35.578
bonds (distance) P-C4' energy: -29.741
flat angles C4'-P-C4' energy: -40.990
flat angles P-C4'-P energy: -28.354
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: 21
Temperature: 1.100000
Total energy: -461.062007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.062007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.062007 (E_RNA)
where:
Base-Base interactions energy: -288.982
where: short stacking energy: -149.575
Base-Backbone interact. energy: -0.287
local terms energy: -171.792786
where:
bonds (distance) C4'-P energy: -32.460
bonds (distance) P-C4' energy: -34.717
flat angles C4'-P-C4' energy: -30.898
flat angles P-C4'-P energy: -33.247
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: 6, replica: 3
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -243.391259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.391259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.391259 (E_RNA)
where:
Base-Base interactions energy: -115.117
where: short stacking energy: -76.293
Base-Backbone interact. energy: -0.268
local terms energy: -128.006487
where:
bonds (distance) C4'-P energy: -33.714
bonds (distance) P-C4' energy: -33.543
flat angles C4'-P-C4' energy: -28.651
flat angles P-C4'-P energy: -26.748
tors. eta vs tors. theta energy: -5.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -237.040137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.040137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.040137 (E_RNA)
where:
Base-Base interactions energy: -101.739
where: short stacking energy: -53.231
Base-Backbone interact. energy: -2.317
local terms energy: -132.984178
where:
bonds (distance) C4'-P energy: -33.464
bonds (distance) P-C4' energy: -37.307
flat angles C4'-P-C4' energy: -40.985
flat angles P-C4'-P energy: -19.491
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: 8, replica: 5
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -201.780283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.780283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.780283 (E_RNA)
where:
Base-Base interactions energy: -74.012
where: short stacking energy: -52.437
Base-Backbone interact. energy: -1.419
local terms energy: -126.349463
where:
bonds (distance) C4'-P energy: -26.455
bonds (distance) P-C4' energy: -37.930
flat angles C4'-P-C4' energy: -23.776
flat angles P-C4'-P energy: -25.624
tors. eta vs tors. theta energy: -12.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -188.057228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.057228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.057228 (E_RNA)
where:
Base-Base interactions energy: -63.314
where: short stacking energy: -55.796
Base-Backbone interact. energy: 0.115
local terms energy: -124.857639
where:
bonds (distance) C4'-P energy: -37.602
bonds (distance) P-C4' energy: -31.102
flat angles C4'-P-C4' energy: -32.911
flat angles P-C4'-P energy: -21.629
tors. eta vs tors. theta energy: -1.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -202.406959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.406959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.406959 (E_RNA)
where:
Base-Base interactions energy: -88.655
where: short stacking energy: -68.121
Base-Backbone interact. energy: 0.653
local terms energy: -114.405474
where:
bonds (distance) C4'-P energy: -20.575
bonds (distance) P-C4' energy: -37.463
flat angles C4'-P-C4' energy: -36.573
flat angles P-C4'-P energy: -17.470
tors. eta vs tors. theta energy: -2.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -575.184023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.184023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.184023 (E_RNA)
where:
Base-Base interactions energy: -375.240
where: short stacking energy: -170.802
Base-Backbone interact. energy: -1.352
local terms energy: -198.591958
where:
bonds (distance) C4'-P energy: -34.080
bonds (distance) P-C4' energy: -34.268
flat angles C4'-P-C4' energy: -49.266
flat angles P-C4'-P energy: -25.103
tors. eta vs tors. theta energy: -55.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -536.334319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.334319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.334319 (E_RNA)
where:
Base-Base interactions energy: -344.706
where: short stacking energy: -151.954
Base-Backbone interact. energy: -1.248
local terms energy: -190.379959
where:
bonds (distance) C4'-P energy: -43.487
bonds (distance) P-C4' energy: -36.995
flat angles C4'-P-C4' energy: -42.018
flat angles P-C4'-P energy: -23.036
tors. eta vs tors. theta energy: -44.844
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: 9
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -509.458297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.458297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.458297 (E_RNA)
where:
Base-Base interactions energy: -334.605
where: short stacking energy: -132.064
Base-Backbone interact. energy: -1.140
local terms energy: -173.713298
where:
bonds (distance) C4'-P energy: -33.622
bonds (distance) P-C4' energy: -41.151
flat angles C4'-P-C4' energy: -37.470
flat angles P-C4'-P energy: -30.438
tors. eta vs tors. theta energy: -31.032
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: 7
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -504.825117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.825117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.825117 (E_RNA)
where:
Base-Base interactions energy: -320.591
where: short stacking energy: -136.771
Base-Backbone interact. energy: -0.383
local terms energy: -183.851713
where:
bonds (distance) C4'-P energy: -34.276
bonds (distance) P-C4' energy: -38.663
flat angles C4'-P-C4' energy: -40.215
flat angles P-C4'-P energy: -26.024
tors. eta vs tors. theta energy: -44.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -457.087409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.087409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.087409 (E_RNA)
where:
Base-Base interactions energy: -268.817
where: short stacking energy: -130.491
Base-Backbone interact. energy: -1.043
local terms energy: -187.226503
where:
bonds (distance) C4'-P energy: -38.561
bonds (distance) P-C4' energy: -35.700
flat angles C4'-P-C4' energy: -44.766
flat angles P-C4'-P energy: -30.426
tors. eta vs tors. theta energy: -37.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -246.863311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.863311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.863311 (E_RNA)
where:
Base-Base interactions energy: -114.567
where: short stacking energy: -68.966
Base-Backbone interact. energy: -0.454
local terms energy: -131.841725
where:
bonds (distance) C4'-P energy: -34.590
bonds (distance) P-C4' energy: -35.543
flat angles C4'-P-C4' energy: -33.861
flat angles P-C4'-P energy: -19.951
tors. eta vs tors. theta energy: -7.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -199.054665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.054665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.054665 (E_RNA)
where:
Base-Base interactions energy: -65.263
where: short stacking energy: -55.783
Base-Backbone interact. energy: -0.474
local terms energy: -133.317856
where:
bonds (distance) C4'-P energy: -39.400
bonds (distance) P-C4' energy: -39.416
flat angles C4'-P-C4' energy: -28.557
flat angles P-C4'-P energy: -26.686
tors. eta vs tors. theta energy: 0.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -195.277217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.277217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.277217 (E_RNA)
where:
Base-Base interactions energy: -82.582
where: short stacking energy: -38.901
Base-Backbone interact. energy: 2.880
local terms energy: -115.575442
where:
bonds (distance) C4'-P energy: -34.110
bonds (distance) P-C4' energy: -31.361
flat angles C4'-P-C4' energy: -29.665
flat angles P-C4'-P energy: -24.095
tors. eta vs tors. theta energy: 3.655
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: 6
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -197.047195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.047195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.047195 (E_RNA)
where:
Base-Base interactions energy: -87.477
where: short stacking energy: -58.663
Base-Backbone interact. energy: 0.147
local terms energy: -109.717941
where:
bonds (distance) C4'-P energy: -25.535
bonds (distance) P-C4' energy: -36.412
flat angles C4'-P-C4' energy: -30.400
flat angles P-C4'-P energy: -15.242
tors. eta vs tors. theta energy: -2.130
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: 2
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -174.559017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.559017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.559017 (E_RNA)
where:
Base-Base interactions energy: -60.344
where: short stacking energy: -49.940
Base-Backbone interact. energy: -1.087
local terms energy: -113.128094
where:
bonds (distance) C4'-P energy: -31.801
bonds (distance) P-C4' energy: -29.563
flat angles C4'-P-C4' energy: -34.240
flat angles P-C4'-P energy: -22.549
tors. eta vs tors. theta energy: 5.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -593.492211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.492211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.492211 (E_RNA)
where:
Base-Base interactions energy: -402.231
where: short stacking energy: -166.777
Base-Backbone interact. energy: 0.533
local terms energy: -191.794150
where:
bonds (distance) C4'-P energy: -37.145
bonds (distance) P-C4' energy: -39.075
flat angles C4'-P-C4' energy: -38.117
flat angles P-C4'-P energy: -27.950
tors. eta vs tors. theta energy: -49.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -544.294302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.294302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.294302 (E_RNA)
where:
Base-Base interactions energy: -357.406
where: short stacking energy: -153.449
Base-Backbone interact. energy: -0.523
local terms energy: -186.365532
where:
bonds (distance) C4'-P energy: -42.110
bonds (distance) P-C4' energy: -38.373
flat angles C4'-P-C4' energy: -38.863
flat angles P-C4'-P energy: -27.961
tors. eta vs tors. theta energy: -39.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -532.528925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.528925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.528925 (E_RNA)
where:
Base-Base interactions energy: -355.055
where: short stacking energy: -151.374
Base-Backbone interact. energy: -0.556
local terms energy: -176.918044
where:
bonds (distance) C4'-P energy: -25.879
bonds (distance) P-C4' energy: -40.460
flat angles C4'-P-C4' energy: -41.511
flat angles P-C4'-P energy: -25.737
tors. eta vs tors. theta energy: -43.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -486.525398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.525398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.525398 (E_RNA)
where:
Base-Base interactions energy: -305.889
where: short stacking energy: -130.863
Base-Backbone interact. energy: -0.439
local terms energy: -180.196968
where:
bonds (distance) C4'-P energy: -36.468
bonds (distance) P-C4' energy: -37.333
flat angles C4'-P-C4' energy: -42.217
flat angles P-C4'-P energy: -25.920
tors. eta vs tors. theta energy: -38.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -418.868636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.868636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.868636 (E_RNA)
where:
Base-Base interactions energy: -245.126
where: short stacking energy: -129.105
Base-Backbone interact. energy: -0.799
local terms energy: -172.942986
where:
bonds (distance) C4'-P energy: -29.633
bonds (distance) P-C4' energy: -44.785
flat angles C4'-P-C4' energy: -39.871
flat angles P-C4'-P energy: -27.403
tors. eta vs tors. theta energy: -31.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -236.132629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.132629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.132629 (E_RNA)
where:
Base-Base interactions energy: -104.039
where: short stacking energy: -74.528
Base-Backbone interact. energy: -0.154
local terms energy: -131.939600
where:
bonds (distance) C4'-P energy: -36.302
bonds (distance) P-C4' energy: -37.266
flat angles C4'-P-C4' energy: -29.210
flat angles P-C4'-P energy: -20.924
tors. eta vs tors. theta energy: -8.238
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: 3
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -218.372440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.372440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.372440 (E_RNA)
where:
Base-Base interactions energy: -96.919
where: short stacking energy: -63.787
Base-Backbone interact. energy: -0.854
local terms energy: -120.599342
where:
bonds (distance) C4'-P energy: -34.578
bonds (distance) P-C4' energy: -33.292
flat angles C4'-P-C4' energy: -38.482
flat angles P-C4'-P energy: -21.298
tors. eta vs tors. theta energy: 7.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -182.365980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.365980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.365980 (E_RNA)
where:
Base-Base interactions energy: -67.453
where: short stacking energy: -51.105
Base-Backbone interact. energy: -0.644
local terms energy: -114.269706
where:
bonds (distance) C4'-P energy: -29.673
bonds (distance) P-C4' energy: -40.983
flat angles C4'-P-C4' energy: -26.009
flat angles P-C4'-P energy: -19.752
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: 9, replica: 8
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -173.373420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.373420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.373420 (E_RNA)
where:
Base-Base interactions energy: -63.687
where: short stacking energy: -53.379
Base-Backbone interact. energy: -0.265
local terms energy: -109.420760
where:
bonds (distance) C4'-P energy: -31.328
bonds (distance) P-C4' energy: -36.577
flat angles C4'-P-C4' energy: -23.886
flat angles P-C4'-P energy: -22.277
tors. eta vs tors. theta energy: 4.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -169.051276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.051276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.051276 (E_RNA)
where:
Base-Base interactions energy: -57.034
where: short stacking energy: -55.352
Base-Backbone interact. energy: 0.284
local terms energy: -112.300933
where:
bonds (distance) C4'-P energy: -29.523
bonds (distance) P-C4' energy: -39.545
flat angles C4'-P-C4' energy: -28.448
flat angles P-C4'-P energy: -14.617
tors. eta vs tors. theta energy: -0.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -594.308342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.308342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.308342 (E_RNA)
where:
Base-Base interactions energy: -382.197
where: short stacking energy: -166.861
Base-Backbone interact. energy: 0.524
local terms energy: -212.635217
where:
bonds (distance) C4'-P energy: -42.745
bonds (distance) P-C4' energy: -42.137
flat angles C4'-P-C4' energy: -42.724
flat angles P-C4'-P energy: -30.883
tors. eta vs tors. theta energy: -54.145
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: 9
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -567.936495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.936495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.936495 (E_RNA)
where:
Base-Base interactions energy: -388.993
where: short stacking energy: -161.868
Base-Backbone interact. energy: -1.165
local terms energy: -177.778395
where:
bonds (distance) C4'-P energy: -37.396
bonds (distance) P-C4' energy: -37.075
flat angles C4'-P-C4' energy: -41.292
flat angles P-C4'-P energy: -18.839
tors. eta vs tors. theta energy: -43.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -517.206287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.206287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.206287 (E_RNA)
where:
Base-Base interactions energy: -339.429
where: short stacking energy: -167.171
Base-Backbone interact. energy: -0.508
local terms energy: -177.269658
where:
bonds (distance) C4'-P energy: -36.822
bonds (distance) P-C4' energy: -37.377
flat angles C4'-P-C4' energy: -38.617
flat angles P-C4'-P energy: -26.140
tors. eta vs tors. theta energy: -38.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -509.973636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.973636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.973636 (E_RNA)
where:
Base-Base interactions energy: -330.951
where: short stacking energy: -135.652
Base-Backbone interact. energy: -1.930
local terms energy: -177.092939
where:
bonds (distance) C4'-P energy: -35.634
bonds (distance) P-C4' energy: -43.327
flat angles C4'-P-C4' energy: -39.846
flat angles P-C4'-P energy: -26.322
tors. eta vs tors. theta energy: -31.965
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: 10
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -382.719809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.719809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.719809 (E_RNA)
where:
Base-Base interactions energy: -226.773
where: short stacking energy: -128.102
Base-Backbone interact. energy: -0.523
local terms energy: -155.424097
where:
bonds (distance) C4'-P energy: -39.877
bonds (distance) P-C4' energy: -37.346
flat angles C4'-P-C4' energy: -28.657
flat angles P-C4'-P energy: -29.164
tors. eta vs tors. theta energy: -20.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -288.975655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.975655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.975655 (E_RNA)
where:
Base-Base interactions energy: -158.058
where: short stacking energy: -91.059
Base-Backbone interact. energy: 1.123
local terms energy: -132.041118
where:
bonds (distance) C4'-P energy: -25.729
bonds (distance) P-C4' energy: -38.772
flat angles C4'-P-C4' energy: -41.879
flat angles P-C4'-P energy: -14.359
tors. eta vs tors. theta energy: -11.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -216.762142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.762142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.762142 (E_RNA)
where:
Base-Base interactions energy: -86.620
where: short stacking energy: -69.066
Base-Backbone interact. energy: 4.318
local terms energy: -134.459874
where:
bonds (distance) C4'-P energy: -41.732
bonds (distance) P-C4' energy: -42.052
flat angles C4'-P-C4' energy: -24.572
flat angles P-C4'-P energy: -20.272
tors. eta vs tors. theta energy: -5.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -207.093112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.093112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.093112 (E_RNA)
where:
Base-Base interactions energy: -65.610
where: short stacking energy: -65.610
Base-Backbone interact. energy: -0.482
local terms energy: -141.001277
where:
bonds (distance) C4'-P energy: -38.320
bonds (distance) P-C4' energy: -37.468
flat angles C4'-P-C4' energy: -31.162
flat angles P-C4'-P energy: -25.954
tors. eta vs tors. theta energy: -8.098
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: 2
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -174.014119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.014119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.014119 (E_RNA)
where:
Base-Base interactions energy: -48.931
where: short stacking energy: -48.294
Base-Backbone interact. energy: -0.497
local terms energy: -124.585704
where:
bonds (distance) C4'-P energy: -32.294
bonds (distance) P-C4' energy: -30.064
flat angles C4'-P-C4' energy: -27.487
flat angles P-C4'-P energy: -34.376
tors. eta vs tors. theta energy: -0.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -160.067487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.067487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.067487 (E_RNA)
where:
Base-Base interactions energy: -61.870
where: short stacking energy: -49.709
Base-Backbone interact. energy: 0.208
local terms energy: -98.405176
where:
bonds (distance) C4'-P energy: -26.591
bonds (distance) P-C4' energy: -26.312
flat angles C4'-P-C4' energy: -31.797
flat angles P-C4'-P energy: -17.132
tors. eta vs tors. theta energy: 3.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -572.564317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.564317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.564317 (E_RNA)
where:
Base-Base interactions energy: -365.222
where: short stacking energy: -183.278
Base-Backbone interact. energy: -1.868
local terms energy: -205.474330
where:
bonds (distance) C4'-P energy: -40.391
bonds (distance) P-C4' energy: -41.332
flat angles C4'-P-C4' energy: -42.948
flat angles P-C4'-P energy: -24.258
tors. eta vs tors. theta energy: -56.546
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: 25
Temperature: 0.950000
Total energy: -544.804281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.804281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.804281 (E_RNA)
where:
Base-Base interactions energy: -350.580
where: short stacking energy: -163.366
Base-Backbone interact. energy: -1.697
local terms energy: -192.527170
where:
bonds (distance) C4'-P energy: -39.668
bonds (distance) P-C4' energy: -35.149
flat angles C4'-P-C4' energy: -36.872
flat angles P-C4'-P energy: -35.527
tors. eta vs tors. theta energy: -45.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -550.710576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.710576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.710576 (E_RNA)
where:
Base-Base interactions energy: -359.603
where: short stacking energy: -156.392
Base-Backbone interact. energy: -1.856
local terms energy: -189.252405
where:
bonds (distance) C4'-P energy: -34.612
bonds (distance) P-C4' energy: -42.099
flat angles C4'-P-C4' energy: -38.083
flat angles P-C4'-P energy: -28.845
tors. eta vs tors. theta energy: -45.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -492.940063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.940063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.940063 (E_RNA)
where:
Base-Base interactions energy: -315.855
where: short stacking energy: -135.902
Base-Backbone interact. energy: -1.110
local terms energy: -175.975598
where:
bonds (distance) C4'-P energy: -38.087
bonds (distance) P-C4' energy: -42.048
flat angles C4'-P-C4' energy: -39.249
flat angles P-C4'-P energy: -21.744
tors. eta vs tors. theta energy: -34.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -374.167567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.167567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.167567 (E_RNA)
where:
Base-Base interactions energy: -206.977
where: short stacking energy: -113.570
Base-Backbone interact. energy: -0.387
local terms energy: -166.803614
where:
bonds (distance) C4'-P energy: -38.813
bonds (distance) P-C4' energy: -38.064
flat angles C4'-P-C4' energy: -31.565
flat angles P-C4'-P energy: -24.574
tors. eta vs tors. theta energy: -33.788
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: 5
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -315.420940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.420940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.420940 (E_RNA)
where:
Base-Base interactions energy: -166.964
where: short stacking energy: -101.701
Base-Backbone interact. energy: 2.340
local terms energy: -150.797194
where:
bonds (distance) C4'-P energy: -30.365
bonds (distance) P-C4' energy: -43.909
flat angles C4'-P-C4' energy: -34.813
flat angles P-C4'-P energy: -18.969
tors. eta vs tors. theta energy: -22.742
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: 7, replica: 3
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -241.081565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.081565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.081565 (E_RNA)
where:
Base-Base interactions energy: -110.810
where: short stacking energy: -67.479
Base-Backbone interact. energy: -0.545
local terms energy: -129.726129
where:
bonds (distance) C4'-P energy: -39.431
bonds (distance) P-C4' energy: -37.867
flat angles C4'-P-C4' energy: -27.122
flat angles P-C4'-P energy: -19.079
tors. eta vs tors. theta energy: -6.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -215.956186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.956186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.956186 (E_RNA)
where:
Base-Base interactions energy: -85.354
where: short stacking energy: -74.945
Base-Backbone interact. energy: -1.340
local terms energy: -129.262741
where:
bonds (distance) C4'-P energy: -33.033
bonds (distance) P-C4' energy: -29.079
flat angles C4'-P-C4' energy: -35.960
flat angles P-C4'-P energy: -22.617
tors. eta vs tors. theta energy: -8.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -185.306801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.306801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.306801 (E_RNA)
where:
Base-Base interactions energy: -58.838
where: short stacking energy: -53.167
Base-Backbone interact. energy: 0.545
local terms energy: -127.013315
where:
bonds (distance) C4'-P energy: -32.544
bonds (distance) P-C4' energy: -26.721
flat angles C4'-P-C4' energy: -34.865
flat angles P-C4'-P energy: -28.571
tors. eta vs tors. theta energy: -4.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -163.125933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.125933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.125933 (E_RNA)
where:
Base-Base interactions energy: -50.681
where: short stacking energy: -37.185
Base-Backbone interact. energy: -0.104
local terms energy: -112.340959
where:
bonds (distance) C4'-P energy: -34.519
bonds (distance) P-C4' energy: -32.566
flat angles C4'-P-C4' energy: -25.498
flat angles P-C4'-P energy: -20.774
tors. eta vs tors. theta energy: 1.016
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: 4
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -578.114269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.114269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.114269 (E_RNA)
where:
Base-Base interactions energy: -378.106
where: short stacking energy: -181.220
Base-Backbone interact. energy: -0.378
local terms energy: -199.630754
where:
bonds (distance) C4'-P energy: -40.689
bonds (distance) P-C4' energy: -38.535
flat angles C4'-P-C4' energy: -43.563
flat angles P-C4'-P energy: -21.400
tors. eta vs tors. theta energy: -55.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -530.877021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.877021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.877021 (E_RNA)
where:
Base-Base interactions energy: -330.360
where: short stacking energy: -172.278
Base-Backbone interact. energy: -0.052
local terms energy: -200.464539
where:
bonds (distance) C4'-P energy: -39.552
bonds (distance) P-C4' energy: -43.571
flat angles C4'-P-C4' energy: -43.614
flat angles P-C4'-P energy: -20.211
tors. eta vs tors. theta energy: -53.517
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: 1
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -501.107834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.107834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.107834 (E_RNA)
where:
Base-Base interactions energy: -320.863
where: short stacking energy: -134.968
Base-Backbone interact. energy: -0.998
local terms energy: -179.246457
where:
bonds (distance) C4'-P energy: -41.456
bonds (distance) P-C4' energy: -34.483
flat angles C4'-P-C4' energy: -34.464
flat angles P-C4'-P energy: -34.111
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: 4, replica: 9
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -530.782860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.782860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.782860 (E_RNA)
where:
Base-Base interactions energy: -344.160
where: short stacking energy: -154.620
Base-Backbone interact. energy: -1.778
local terms energy: -184.844367
where:
bonds (distance) C4'-P energy: -39.686
bonds (distance) P-C4' energy: -38.931
flat angles C4'-P-C4' energy: -40.842
flat angles P-C4'-P energy: -21.163
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: 5, replica: 10
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -386.981808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.981808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.981808 (E_RNA)
where:
Base-Base interactions energy: -221.857
where: short stacking energy: -127.356
Base-Backbone interact. energy: -0.655
local terms energy: -164.470152
where:
bonds (distance) C4'-P energy: -33.787
bonds (distance) P-C4' energy: -35.166
flat angles C4'-P-C4' energy: -36.213
flat angles P-C4'-P energy: -30.589
tors. eta vs tors. theta energy: -28.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -328.369217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.369217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.369217 (E_RNA)
where:
Base-Base interactions energy: -170.998
where: short stacking energy: -108.701
Base-Backbone interact. energy: -0.189
local terms energy: -157.182141
where:
bonds (distance) C4'-P energy: -36.568
bonds (distance) P-C4' energy: -36.213
flat angles C4'-P-C4' energy: -29.778
flat angles P-C4'-P energy: -26.832
tors. eta vs tors. theta energy: -27.790
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: 7, replica: 3
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -207.622855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.622855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.622855 (E_RNA)
where:
Base-Base interactions energy: -82.769
where: short stacking energy: -77.270
Base-Backbone interact. energy: -0.334
local terms energy: -124.519072
where:
bonds (distance) C4'-P energy: -37.441
bonds (distance) P-C4' energy: -30.859
flat angles C4'-P-C4' energy: -34.320
flat angles P-C4'-P energy: -20.325
tors. eta vs tors. theta energy: -1.575
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: 2
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -179.367686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.367686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.367686 (E_RNA)
where:
Base-Base interactions energy: -65.595
where: short stacking energy: -52.143
Base-Backbone interact. energy: -0.901
local terms energy: -112.871648
where:
bonds (distance) C4'-P energy: -38.959
bonds (distance) P-C4' energy: -30.649
flat angles C4'-P-C4' energy: -32.620
flat angles P-C4'-P energy: -10.075
tors. eta vs tors. theta energy: -0.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -185.037267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.037267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.037267 (E_RNA)
where:
Base-Base interactions energy: -71.877
where: short stacking energy: -57.763
Base-Backbone interact. energy: 1.116
local terms energy: -114.277051
where:
bonds (distance) C4'-P energy: -30.515
bonds (distance) P-C4' energy: -29.754
flat angles C4'-P-C4' energy: -32.622
flat angles P-C4'-P energy: -17.097
tors. eta vs tors. theta energy: -4.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -166.776438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.776438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.776438 (E_RNA)
where:
Base-Base interactions energy: -53.965
where: short stacking energy: -45.179
Base-Backbone interact. energy: -0.388
local terms energy: -112.423624
where:
bonds (distance) C4'-P energy: -29.534
bonds (distance) P-C4' energy: -42.394
flat angles C4'-P-C4' energy: -28.236
flat angles P-C4'-P energy: -22.679
tors. eta vs tors. theta energy: 10.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -582.952845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.952845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.952845 (E_RNA)
where:
Base-Base interactions energy: -382.500
where: short stacking energy: -182.921
Base-Backbone interact. energy: -0.802
local terms energy: -199.651355
where:
bonds (distance) C4'-P energy: -38.291
bonds (distance) P-C4' energy: -41.590
flat angles C4'-P-C4' energy: -42.849
flat angles P-C4'-P energy: -24.956
tors. eta vs tors. theta energy: -51.966
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: 1
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -531.383929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.383929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.383929 (E_RNA)
where:
Base-Base interactions energy: -339.404
where: short stacking energy: -149.553
Base-Backbone interact. energy: -0.649
local terms energy: -191.330631
where:
bonds (distance) C4'-P energy: -36.711
bonds (distance) P-C4' energy: -39.991
flat angles C4'-P-C4' energy: -46.366
flat angles P-C4'-P energy: -26.546
tors. eta vs tors. theta energy: -41.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -495.671202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.671202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.671202 (E_RNA)
where:
Base-Base interactions energy: -324.294
where: short stacking energy: -147.375
Base-Backbone interact. energy: -0.172
local terms energy: -171.205327
where:
bonds (distance) C4'-P energy: -32.295
bonds (distance) P-C4' energy: -36.796
flat angles C4'-P-C4' energy: -35.563
flat angles P-C4'-P energy: -22.489
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: 4, replica: 9
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -529.804852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.804852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.804852 (E_RNA)
where:
Base-Base interactions energy: -339.465
where: short stacking energy: -136.675
Base-Backbone interact. energy: 0.013
local terms energy: -190.352929
where:
bonds (distance) C4'-P energy: -40.919
bonds (distance) P-C4' energy: -34.123
flat angles C4'-P-C4' energy: -38.863
flat angles P-C4'-P energy: -25.058
tors. eta vs tors. theta energy: -51.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -385.876855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.876855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.876855 (E_RNA)
where:
Base-Base interactions energy: -219.101
where: short stacking energy: -124.941
Base-Backbone interact. energy: -0.525
local terms energy: -166.251012
where:
bonds (distance) C4'-P energy: -28.742
bonds (distance) P-C4' energy: -35.112
flat angles C4'-P-C4' energy: -39.419
flat angles P-C4'-P energy: -24.779
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: 6, replica: 5
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -308.450733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.450733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.450733 (E_RNA)
where:
Base-Base interactions energy: -164.282
where: short stacking energy: -82.875
Base-Backbone interact. energy: 0.052
local terms energy: -144.220593
where:
bonds (distance) C4'-P energy: -35.575
bonds (distance) P-C4' energy: -38.314
flat angles C4'-P-C4' energy: -39.087
flat angles P-C4'-P energy: -17.169
tors. eta vs tors. theta energy: -14.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -199.266820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.266820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.266820 (E_RNA)
where:
Base-Base interactions energy: -79.722
where: short stacking energy: -47.103
Base-Backbone interact. energy: -1.066
local terms energy: -118.478796
where:
bonds (distance) C4'-P energy: -32.576
bonds (distance) P-C4' energy: -43.254
flat angles C4'-P-C4' energy: -26.765
flat angles P-C4'-P energy: -15.779
tors. eta vs tors. theta energy: -0.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -208.504688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.504688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.504688 (E_RNA)
where:
Base-Base interactions energy: -89.678
where: short stacking energy: -55.370
Base-Backbone interact. energy: 0.789
local terms energy: -119.615434
where:
bonds (distance) C4'-P energy: -33.048
bonds (distance) P-C4' energy: -35.658
flat angles C4'-P-C4' energy: -24.752
flat angles P-C4'-P energy: -22.809
tors. eta vs tors. theta energy: -3.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -182.113276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.113276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.113276 (E_RNA)
where:
Base-Base interactions energy: -64.947
where: short stacking energy: -60.747
Base-Backbone interact. energy: -0.944
local terms energy: -116.221660
where:
bonds (distance) C4'-P energy: -26.895
bonds (distance) P-C4' energy: -38.307
flat angles C4'-P-C4' energy: -27.864
flat angles P-C4'-P energy: -21.385
tors. eta vs tors. theta energy: -1.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -167.323457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.323457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.323457 (E_RNA)
where:
Base-Base interactions energy: -45.090
where: short stacking energy: -37.049
Base-Backbone interact. energy: 2.891
local terms energy: -125.124909
where:
bonds (distance) C4'-P energy: -31.916
bonds (distance) P-C4' energy: -35.407
flat angles C4'-P-C4' energy: -30.855
flat angles P-C4'-P energy: -21.462
tors. eta vs tors. theta energy: -5.485
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: 1, replica: 4
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -566.550597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.550597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.550597 (E_RNA)
where:
Base-Base interactions energy: -360.536
where: short stacking energy: -181.940
Base-Backbone interact. energy: -0.440
local terms energy: -205.574593
where:
bonds (distance) C4'-P energy: -39.238
bonds (distance) P-C4' energy: -42.325
flat angles C4'-P-C4' energy: -46.397
flat angles P-C4'-P energy: -27.521
tors. eta vs tors. theta energy: -50.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -523.999826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.999826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.999826 (E_RNA)
where:
Base-Base interactions energy: -337.891
where: short stacking energy: -138.769
Base-Backbone interact. energy: -1.350
local terms energy: -184.758430
where:
bonds (distance) C4'-P energy: -35.420
bonds (distance) P-C4' energy: -37.413
flat angles C4'-P-C4' energy: -45.229
flat angles P-C4'-P energy: -26.383
tors. eta vs tors. theta energy: -40.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -548.234529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.234529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.234529 (E_RNA)
where:
Base-Base interactions energy: -354.670
where: short stacking energy: -154.289
Base-Backbone interact. energy: -0.993
local terms energy: -192.571473
where:
bonds (distance) C4'-P energy: -40.592
bonds (distance) P-C4' energy: -38.998
flat angles C4'-P-C4' energy: -44.410
flat angles P-C4'-P energy: -24.850
tors. eta vs tors. theta energy: -43.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -482.822554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.822554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.822554 (E_RNA)
where:
Base-Base interactions energy: -303.467
where: short stacking energy: -123.750
Base-Backbone interact. energy: -0.988
local terms energy: -178.367561
where:
bonds (distance) C4'-P energy: -36.704
bonds (distance) P-C4' energy: -37.875
flat angles C4'-P-C4' energy: -38.434
flat angles P-C4'-P energy: -25.061
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: 10
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -403.705879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.705879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.705879 (E_RNA)
where:
Base-Base interactions energy: -239.033
where: short stacking energy: -132.381
Base-Backbone interact. energy: -0.399
local terms energy: -164.274052
where:
bonds (distance) C4'-P energy: -37.866
bonds (distance) P-C4' energy: -34.920
flat angles C4'-P-C4' energy: -37.613
flat angles P-C4'-P energy: -25.439
tors. eta vs tors. theta energy: -28.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -278.043559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.043559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.043559 (E_RNA)
where:
Base-Base interactions energy: -132.289
where: short stacking energy: -74.238
Base-Backbone interact. energy: 0.153
local terms energy: -145.907435
where:
bonds (distance) C4'-P energy: -38.432
bonds (distance) P-C4' energy: -34.501
flat angles C4'-P-C4' energy: -38.399
flat angles P-C4'-P energy: -25.261
tors. eta vs tors. theta energy: -9.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -206.316032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.316032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.316032 (E_RNA)
where:
Base-Base interactions energy: -79.993
where: short stacking energy: -55.988
Base-Backbone interact. energy: -0.286
local terms energy: -126.037178
where:
bonds (distance) C4'-P energy: -31.414
bonds (distance) P-C4' energy: -40.197
flat angles C4'-P-C4' energy: -33.763
flat angles P-C4'-P energy: -19.706
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: 8, replica: 6
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -201.750517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.750517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.750517 (E_RNA)
where:
Base-Base interactions energy: -74.986
where: short stacking energy: -63.999
Base-Backbone interact. energy: 0.541
local terms energy: -127.305323
where:
bonds (distance) C4'-P energy: -36.870
bonds (distance) P-C4' energy: -35.489
flat angles C4'-P-C4' energy: -28.675
flat angles P-C4'-P energy: -18.438
tors. eta vs tors. theta energy: -7.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -173.201283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.201283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.201283 (E_RNA)
where:
Base-Base interactions energy: -53.741
where: short stacking energy: -48.462
Base-Backbone interact. energy: 0.994
local terms energy: -120.455209
where:
bonds (distance) C4'-P energy: -35.809
bonds (distance) P-C4' energy: -34.102
flat angles C4'-P-C4' energy: -28.290
flat angles P-C4'-P energy: -27.981
tors. eta vs tors. theta energy: 5.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -172.114196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.114196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.114196 (E_RNA)
where:
Base-Base interactions energy: -67.073
where: short stacking energy: -46.847
Base-Backbone interact. energy: -0.186
local terms energy: -104.854430
where:
bonds (distance) C4'-P energy: -30.485
bonds (distance) P-C4' energy: -32.584
flat angles C4'-P-C4' energy: -38.146
flat angles P-C4'-P energy: -10.170
tors. eta vs tors. theta energy: 6.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -591.973662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.973662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.973662 (E_RNA)
where:
Base-Base interactions energy: -375.092
where: short stacking energy: -180.106
Base-Backbone interact. energy: -1.890
local terms energy: -214.991646
where:
bonds (distance) C4'-P energy: -43.404
bonds (distance) P-C4' energy: -42.225
flat angles C4'-P-C4' energy: -43.162
flat angles P-C4'-P energy: -31.973
tors. eta vs tors. theta energy: -54.228
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: 2, replica: 9
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -555.316136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.316136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.316136 (E_RNA)
where:
Base-Base interactions energy: -375.617
where: short stacking energy: -168.543
Base-Backbone interact. energy: -0.778
local terms energy: -178.920585
where:
bonds (distance) C4'-P energy: -41.583
bonds (distance) P-C4' energy: -35.028
flat angles C4'-P-C4' energy: -38.563
flat angles P-C4'-P energy: -24.111
tors. eta vs tors. theta energy: -39.636
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: 1
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -528.828055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.828055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.828055 (E_RNA)
where:
Base-Base interactions energy: -337.015
where: short stacking energy: -135.966
Base-Backbone interact. energy: -1.310
local terms energy: -190.503576
where:
bonds (distance) C4'-P energy: -42.691
bonds (distance) P-C4' energy: -45.427
flat angles C4'-P-C4' energy: -36.465
flat angles P-C4'-P energy: -22.814
tors. eta vs tors. theta energy: -43.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -477.145871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.145871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.145871 (E_RNA)
where:
Base-Base interactions energy: -304.777
where: short stacking energy: -140.070
Base-Backbone interact. energy: -0.317
local terms energy: -172.051958
where:
bonds (distance) C4'-P energy: -32.646
bonds (distance) P-C4' energy: -40.242
flat angles C4'-P-C4' energy: -32.582
flat angles P-C4'-P energy: -29.621
tors. eta vs tors. theta energy: -36.961
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: 10
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -419.257022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.257022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.257022 (E_RNA)
where:
Base-Base interactions energy: -244.356
where: short stacking energy: -131.211
Base-Backbone interact. energy: -0.647
local terms energy: -174.254293
where:
bonds (distance) C4'-P energy: -35.273
bonds (distance) P-C4' energy: -40.978
flat angles C4'-P-C4' energy: -39.087
flat angles P-C4'-P energy: -24.432
tors. eta vs tors. theta energy: -34.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -288.303083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.303083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.303083 (E_RNA)
where:
Base-Base interactions energy: -132.903
where: short stacking energy: -85.370
Base-Backbone interact. energy: 1.059
local terms energy: -156.458918
where:
bonds (distance) C4'-P energy: -37.616
bonds (distance) P-C4' energy: -43.587
flat angles C4'-P-C4' energy: -35.170
flat angles P-C4'-P energy: -26.174
tors. eta vs tors. theta energy: -13.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -232.240667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.240667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.240667 (E_RNA)
where:
Base-Base interactions energy: -103.091
where: short stacking energy: -75.834
Base-Backbone interact. energy: 0.300
local terms energy: -129.449582
where:
bonds (distance) C4'-P energy: -39.214
bonds (distance) P-C4' energy: -33.933
flat angles C4'-P-C4' energy: -27.497
flat angles P-C4'-P energy: -15.903
tors. eta vs tors. theta energy: -12.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -184.039591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.039591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.039591 (E_RNA)
where:
Base-Base interactions energy: -76.138
where: short stacking energy: -61.853
Base-Backbone interact. energy: -1.333
local terms energy: -106.568761
where:
bonds (distance) C4'-P energy: -35.273
bonds (distance) P-C4' energy: -28.985
flat angles C4'-P-C4' energy: -32.606
flat angles P-C4'-P energy: -8.483
tors. eta vs tors. theta energy: -1.221
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: 9, replica: 6
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -169.363978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.363978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.363978 (E_RNA)
where:
Base-Base interactions energy: -45.749
where: short stacking energy: -35.368
Base-Backbone interact. energy: -0.214
local terms energy: -123.400920
where:
bonds (distance) C4'-P energy: -42.502
bonds (distance) P-C4' energy: -36.802
flat angles C4'-P-C4' energy: -34.674
flat angles P-C4'-P energy: -22.414
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: 10, replica: 8
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -153.150454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.150454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.150454 (E_RNA)
where:
Base-Base interactions energy: -40.274
where: short stacking energy: -32.076
Base-Backbone interact. energy: -0.663
local terms energy: -112.213016
where:
bonds (distance) C4'-P energy: -32.426
bonds (distance) P-C4' energy: -40.309
flat angles C4'-P-C4' energy: -27.143
flat angles P-C4'-P energy: -15.807
tors. eta vs tors. theta energy: 3.472
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: 1, replica: 4
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -599.082671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.082671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.082671 (E_RNA)
where:
Base-Base interactions energy: -390.643
where: short stacking energy: -169.204
Base-Backbone interact. energy: -0.640
local terms energy: -207.800030
where:
bonds (distance) C4'-P energy: -42.338
bonds (distance) P-C4' energy: -40.804
flat angles C4'-P-C4' energy: -40.721
flat angles P-C4'-P energy: -32.908
tors. eta vs tors. theta energy: -51.028
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: 9
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -570.173198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.173198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.173198 (E_RNA)
where:
Base-Base interactions energy: -367.432
where: short stacking energy: -162.437
Base-Backbone interact. energy: -2.428
local terms energy: -200.313145
where:
bonds (distance) C4'-P energy: -35.249
bonds (distance) P-C4' energy: -44.278
flat angles C4'-P-C4' energy: -42.067
flat angles P-C4'-P energy: -30.226
tors. eta vs tors. theta energy: -48.495
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: 30
Temperature: 1.000000
Total energy: -498.911418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.911418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.911418 (E_RNA)
where:
Base-Base interactions energy: -307.642
where: short stacking energy: -138.241
Base-Backbone interact. energy: -0.452
local terms energy: -190.817825
where:
bonds (distance) C4'-P energy: -32.957
bonds (distance) P-C4' energy: -41.556
flat angles C4'-P-C4' energy: -44.649
flat angles P-C4'-P energy: -31.462
tors. eta vs tors. theta energy: -40.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -475.780400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.780400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.780400 (E_RNA)
where:
Base-Base interactions energy: -300.924
where: short stacking energy: -142.726
Base-Backbone interact. energy: -1.984
local terms energy: -172.872464
where:
bonds (distance) C4'-P energy: -41.006
bonds (distance) P-C4' energy: -42.665
flat angles C4'-P-C4' energy: -32.913
flat angles P-C4'-P energy: -24.379
tors. eta vs tors. theta energy: -31.909
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: 30
Temperature: 1.100000
Total energy: -411.542994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.542994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.542994 (E_RNA)
where:
Base-Base interactions energy: -241.227
where: short stacking energy: -126.244
Base-Backbone interact. energy: -1.473
local terms energy: -168.843049
where:
bonds (distance) C4'-P energy: -34.544
bonds (distance) P-C4' energy: -38.893
flat angles C4'-P-C4' energy: -45.314
flat angles P-C4'-P energy: -23.687
tors. eta vs tors. theta energy: -26.404
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: 30
Temperature: 1.150000
Total energy: -267.665627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.665627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.665627 (E_RNA)
where:
Base-Base interactions energy: -128.135
where: short stacking energy: -73.761
Base-Backbone interact. energy: 1.329
local terms energy: -140.859834
where:
bonds (distance) C4'-P energy: -38.415
bonds (distance) P-C4' energy: -28.163
flat angles C4'-P-C4' energy: -40.291
flat angles P-C4'-P energy: -22.589
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: 7, replica: 2
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -234.028049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.028049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.028049 (E_RNA)
where:
Base-Base interactions energy: -105.461
where: short stacking energy: -70.894
Base-Backbone interact. energy: 2.553
local terms energy: -131.120534
where:
bonds (distance) C4'-P energy: -28.352
bonds (distance) P-C4' energy: -41.326
flat angles C4'-P-C4' energy: -34.269
flat angles P-C4'-P energy: -21.617
tors. eta vs tors. theta energy: -5.557
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: 3
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -198.380162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.380162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.380162 (E_RNA)
where:
Base-Base interactions energy: -71.904
where: short stacking energy: -40.015
Base-Backbone interact. energy: -1.039
local terms energy: -125.437144
where:
bonds (distance) C4'-P energy: -47.486
bonds (distance) P-C4' energy: -34.120
flat angles C4'-P-C4' energy: -28.510
flat angles P-C4'-P energy: -15.171
tors. eta vs tors. theta energy: -0.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -205.868702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.868702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.868702 (E_RNA)
where:
Base-Base interactions energy: -96.028
where: short stacking energy: -48.067
Base-Backbone interact. energy: 0.948
local terms energy: -110.789184
where:
bonds (distance) C4'-P energy: -38.574
bonds (distance) P-C4' energy: -29.218
flat angles C4'-P-C4' energy: -36.546
flat angles P-C4'-P energy: -12.861
tors. eta vs tors. theta energy: 6.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -165.822821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.822821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.822821 (E_RNA)
where:
Base-Base interactions energy: -62.205
where: short stacking energy: -58.495
Base-Backbone interact. energy: -0.472
local terms energy: -103.146358
where:
bonds (distance) C4'-P energy: -30.442
bonds (distance) P-C4' energy: -34.633
flat angles C4'-P-C4' energy: -20.959
flat angles P-C4'-P energy: -17.438
tors. eta vs tors. theta energy: 0.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -595.428556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.428556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.428556 (E_RNA)
where:
Base-Base interactions energy: -399.034
where: short stacking energy: -167.048
Base-Backbone interact. energy: -1.865
local terms energy: -194.529482
where:
bonds (distance) C4'-P energy: -32.221
bonds (distance) P-C4' energy: -38.769
flat angles C4'-P-C4' energy: -47.187
flat angles P-C4'-P energy: -25.871
tors. eta vs tors. theta energy: -50.481
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: 9
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -565.927645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.927645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.927645 (E_RNA)
where:
Base-Base interactions energy: -372.264
where: short stacking energy: -157.948
Base-Backbone interact. energy: -1.855
local terms energy: -191.809440
where:
bonds (distance) C4'-P energy: -37.379
bonds (distance) P-C4' energy: -35.826
flat angles C4'-P-C4' energy: -41.072
flat angles P-C4'-P energy: -31.386
tors. eta vs tors. theta energy: -46.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -499.909087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.909087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.909087 (E_RNA)
where:
Base-Base interactions energy: -324.083
where: short stacking energy: -146.119
Base-Backbone interact. energy: 1.893
local terms energy: -177.719048
where:
bonds (distance) C4'-P energy: -44.222
bonds (distance) P-C4' energy: -32.249
flat angles C4'-P-C4' energy: -41.399
flat angles P-C4'-P energy: -19.218
tors. eta vs tors. theta energy: -40.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -455.151942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.151942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.151942 (E_RNA)
where:
Base-Base interactions energy: -279.513
where: short stacking energy: -160.065
Base-Backbone interact. energy: 0.632
local terms energy: -176.271049
where:
bonds (distance) C4'-P energy: -31.631
bonds (distance) P-C4' energy: -43.387
flat angles C4'-P-C4' energy: -33.421
flat angles P-C4'-P energy: -18.110
tors. eta vs tors. theta energy: -49.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -442.687247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.687247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.687247 (E_RNA)
where:
Base-Base interactions energy: -279.898
where: short stacking energy: -117.356
Base-Backbone interact. energy: -0.981
local terms energy: -161.808021
where:
bonds (distance) C4'-P energy: -35.089
bonds (distance) P-C4' energy: -34.840
flat angles C4'-P-C4' energy: -37.009
flat angles P-C4'-P energy: -29.642
tors. eta vs tors. theta energy: -25.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -232.069043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.069043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.069043 (E_RNA)
where:
Base-Base interactions energy: -101.747
where: short stacking energy: -76.517
Base-Backbone interact. energy: -1.008
local terms energy: -129.314949
where:
bonds (distance) C4'-P energy: -33.090
bonds (distance) P-C4' energy: -25.977
flat angles C4'-P-C4' energy: -34.556
flat angles P-C4'-P energy: -24.668
tors. eta vs tors. theta energy: -11.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -269.099289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.099289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.099289 (E_RNA)
where:
Base-Base interactions energy: -134.702
where: short stacking energy: -82.286
Base-Backbone interact. energy: 0.626
local terms energy: -135.024026
where:
bonds (distance) C4'-P energy: -38.994
bonds (distance) P-C4' energy: -39.093
flat angles C4'-P-C4' energy: -22.402
flat angles P-C4'-P energy: -24.942
tors. eta vs tors. theta energy: -9.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -185.865486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.865486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.865486 (E_RNA)
where:
Base-Base interactions energy: -81.130
where: short stacking energy: -41.533
Base-Backbone interact. energy: -1.368
local terms energy: -103.367459
where:
bonds (distance) C4'-P energy: -35.954
bonds (distance) P-C4' energy: -32.241
flat angles C4'-P-C4' energy: -30.620
flat angles P-C4'-P energy: -15.491
tors. eta vs tors. theta energy: 10.939
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: 3
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -183.822435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.822435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.822435 (E_RNA)
where:
Base-Base interactions energy: -77.542
where: short stacking energy: -54.752
Base-Backbone interact. energy: -0.045
local terms energy: -106.235931
where:
bonds (distance) C4'-P energy: -36.748
bonds (distance) P-C4' energy: -34.539
flat angles C4'-P-C4' energy: -21.139
flat angles P-C4'-P energy: -18.021
tors. eta vs tors. theta energy: 4.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -170.258670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.258670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.258670 (E_RNA)
where:
Base-Base interactions energy: -64.877
where: short stacking energy: -60.018
Base-Backbone interact. energy: -0.436
local terms energy: -104.944756
where:
bonds (distance) C4'-P energy: -26.121
bonds (distance) P-C4' energy: -39.138
flat angles C4'-P-C4' energy: -28.175
flat angles P-C4'-P energy: -7.024
tors. eta vs tors. theta energy: -4.487
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: 9
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -598.307636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.307636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.307636 (E_RNA)
where:
Base-Base interactions energy: -401.077
where: short stacking energy: -186.757
Base-Backbone interact. energy: -1.522
local terms energy: -195.708868
where:
bonds (distance) C4'-P energy: -35.661
bonds (distance) P-C4' energy: -38.606
flat angles C4'-P-C4' energy: -41.748
flat angles P-C4'-P energy: -26.028
tors. eta vs tors. theta energy: -53.666
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: 4
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -581.313776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.313776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.313776 (E_RNA)
where:
Base-Base interactions energy: -368.285
where: short stacking energy: -163.466
Base-Backbone interact. energy: -0.912
local terms energy: -212.117323
where:
bonds (distance) C4'-P energy: -44.655
bonds (distance) P-C4' energy: -41.598
flat angles C4'-P-C4' energy: -42.446
flat angles P-C4'-P energy: -31.085
tors. eta vs tors. theta energy: -52.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -529.956559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.956559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.956559 (E_RNA)
where:
Base-Base interactions energy: -320.703
where: short stacking energy: -162.139
Base-Backbone interact. energy: -0.046
local terms energy: -209.207664
where:
bonds (distance) C4'-P energy: -37.137
bonds (distance) P-C4' energy: -39.316
flat angles C4'-P-C4' energy: -46.408
flat angles P-C4'-P energy: -32.594
tors. eta vs tors. theta energy: -53.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -466.553479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.553479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.553479 (E_RNA)
where:
Base-Base interactions energy: -278.039
where: short stacking energy: -152.148
Base-Backbone interact. energy: -0.587
local terms energy: -187.928179
where:
bonds (distance) C4'-P energy: -34.354
bonds (distance) P-C4' energy: -42.347
flat angles C4'-P-C4' energy: -41.013
flat angles P-C4'-P energy: -21.575
tors. eta vs tors. theta energy: -48.639
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: 1
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -429.265782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.265782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.265782 (E_RNA)
where:
Base-Base interactions energy: -283.561
where: short stacking energy: -117.346
Base-Backbone interact. energy: -0.260
local terms energy: -145.444641
where:
bonds (distance) C4'-P energy: -21.247
bonds (distance) P-C4' energy: -39.137
flat angles C4'-P-C4' energy: -32.685
flat angles P-C4'-P energy: -23.485
tors. eta vs tors. theta energy: -28.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -218.494679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.494679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.494679 (E_RNA)
where:
Base-Base interactions energy: -83.656
where: short stacking energy: -64.716
Base-Backbone interact. energy: -0.723
local terms energy: -134.115644
where:
bonds (distance) C4'-P energy: -31.436
bonds (distance) P-C4' energy: -36.297
flat angles C4'-P-C4' energy: -39.527
flat angles P-C4'-P energy: -24.404
tors. eta vs tors. theta energy: -2.452
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: 7, replica: 6
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -264.963904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.963904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.963904 (E_RNA)
where:
Base-Base interactions energy: -117.505
where: short stacking energy: -86.152
Base-Backbone interact. energy: -1.121
local terms energy: -146.338567
where:
bonds (distance) C4'-P energy: -35.880
bonds (distance) P-C4' energy: -44.244
flat angles C4'-P-C4' energy: -33.458
flat angles P-C4'-P energy: -23.300
tors. eta vs tors. theta energy: -9.457
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: 5
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -232.198663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.198663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.198663 (E_RNA)
where:
Base-Base interactions energy: -94.044
where: short stacking energy: -69.464
Base-Backbone interact. energy: -0.662
local terms energy: -137.493493
where:
bonds (distance) C4'-P energy: -34.726
bonds (distance) P-C4' energy: -37.674
flat angles C4'-P-C4' energy: -26.469
flat angles P-C4'-P energy: -27.916
tors. eta vs tors. theta energy: -10.709
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: 8
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -173.846024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.846024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.846024 (E_RNA)
where:
Base-Base interactions energy: -50.040
where: short stacking energy: -43.173
Base-Backbone interact. energy: -1.332
local terms energy: -122.473643
where:
bonds (distance) C4'-P energy: -29.814
bonds (distance) P-C4' energy: -37.245
flat angles C4'-P-C4' energy: -37.917
flat angles P-C4'-P energy: -20.243
tors. eta vs tors. theta energy: 2.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -160.980923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.980923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.980923 (E_RNA)
where:
Base-Base interactions energy: -58.279
where: short stacking energy: -51.926
Base-Backbone interact. energy: -0.354
local terms energy: -102.348015
where:
bonds (distance) C4'-P energy: -24.398
bonds (distance) P-C4' energy: -31.714
flat angles C4'-P-C4' energy: -38.573
flat angles P-C4'-P energy: -11.359
tors. eta vs tors. theta energy: 3.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -614.369388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.369388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.369388 (E_RNA)
where:
Base-Base interactions energy: -408.806
where: short stacking energy: -166.454
Base-Backbone interact. energy: -1.975
local terms energy: -203.588431
where:
bonds (distance) C4'-P energy: -41.537
bonds (distance) P-C4' energy: -39.335
flat angles C4'-P-C4' energy: -47.209
flat angles P-C4'-P energy: -27.349
tors. eta vs tors. theta energy: -48.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -574.776205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.776205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.776205 (E_RNA)
where:
Base-Base interactions energy: -379.988
where: short stacking energy: -170.135
Base-Backbone interact. energy: -1.323
local terms energy: -193.465500
where:
bonds (distance) C4'-P energy: -32.477
bonds (distance) P-C4' energy: -37.299
flat angles C4'-P-C4' energy: -42.655
flat angles P-C4'-P energy: -26.277
tors. eta vs tors. theta energy: -54.757
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: 7
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -529.663737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.663737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.663737 (E_RNA)
where:
Base-Base interactions energy: -339.277
where: short stacking energy: -171.448
Base-Backbone interact. energy: 4.161
local terms energy: -194.547532
where:
bonds (distance) C4'-P energy: -34.716
bonds (distance) P-C4' energy: -37.961
flat angles C4'-P-C4' energy: -44.078
flat angles P-C4'-P energy: -27.143
tors. eta vs tors. theta energy: -50.650
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: 33
Temperature: 1.050000
Total energy: -459.680462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.680462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.680462 (E_RNA)
where:
Base-Base interactions energy: -264.149
where: short stacking energy: -151.884
Base-Backbone interact. energy: -0.239
local terms energy: -195.292727
where:
bonds (distance) C4'-P energy: -38.846
bonds (distance) P-C4' energy: -36.590
flat angles C4'-P-C4' energy: -40.254
flat angles P-C4'-P energy: -30.979
tors. eta vs tors. theta energy: -48.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -409.450466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.450466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.450466 (E_RNA)
where:
Base-Base interactions energy: -252.709
where: short stacking energy: -109.761
Base-Backbone interact. energy: 0.277
local terms energy: -157.018544
where:
bonds (distance) C4'-P energy: -31.894
bonds (distance) P-C4' energy: -35.166
flat angles C4'-P-C4' energy: -41.163
flat angles P-C4'-P energy: -27.274
tors. eta vs tors. theta energy: -21.521
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: 6, replica: 6
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -362.147444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.147444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.147444 (E_RNA)
where:
Base-Base interactions energy: -208.494
where: short stacking energy: -119.790
Base-Backbone interact. energy: -0.717
local terms energy: -152.937229
where:
bonds (distance) C4'-P energy: -37.253
bonds (distance) P-C4' energy: -40.268
flat angles C4'-P-C4' energy: -33.165
flat angles P-C4'-P energy: -15.647
tors. eta vs tors. theta energy: -26.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -281.753648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.753648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.753648 (E_RNA)
where:
Base-Base interactions energy: -136.888
where: short stacking energy: -80.189
Base-Backbone interact. energy: -1.242
local terms energy: -143.623715
where:
bonds (distance) C4'-P energy: -26.927
bonds (distance) P-C4' energy: -43.356
flat angles C4'-P-C4' energy: -33.013
flat angles P-C4'-P energy: -26.571
tors. eta vs tors. theta energy: -13.756
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: 5
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -208.388844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.388844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.388844 (E_RNA)
where:
Base-Base interactions energy: -87.083
where: short stacking energy: -62.585
Base-Backbone interact. energy: -0.529
local terms energy: -120.777453
where:
bonds (distance) C4'-P energy: -35.236
bonds (distance) P-C4' energy: -32.875
flat angles C4'-P-C4' energy: -33.721
flat angles P-C4'-P energy: -17.325
tors. eta vs tors. theta energy: -1.620
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: 9, replica: 8
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -184.678720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.678720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.678720 (E_RNA)
where:
Base-Base interactions energy: -69.303
where: short stacking energy: -42.750
Base-Backbone interact. energy: -0.179
local terms energy: -115.197419
where:
bonds (distance) C4'-P energy: -22.545
bonds (distance) P-C4' energy: -33.980
flat angles C4'-P-C4' energy: -40.662
flat angles P-C4'-P energy: -21.374
tors. eta vs tors. theta energy: 3.363
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: 3
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -177.263770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.263770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.263770 (E_RNA)
where:
Base-Base interactions energy: -55.565
where: short stacking energy: -42.935
Base-Backbone interact. energy: 1.594
local terms energy: -123.292305
where:
bonds (distance) C4'-P energy: -38.055
bonds (distance) P-C4' energy: -31.625
flat angles C4'-P-C4' energy: -29.153
flat angles P-C4'-P energy: -26.543
tors. eta vs tors. theta energy: 2.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -604.377156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.377156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.377156 (E_RNA)
where:
Base-Base interactions energy: -398.665
where: short stacking energy: -176.605
Base-Backbone interact. energy: -0.240
local terms energy: -205.472043
where:
bonds (distance) C4'-P energy: -42.444
bonds (distance) P-C4' energy: -45.691
flat angles C4'-P-C4' energy: -43.944
flat angles P-C4'-P energy: -25.422
tors. eta vs tors. theta energy: -47.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -586.242428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.242428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.242428 (E_RNA)
where:
Base-Base interactions energy: -389.278
where: short stacking energy: -166.985
Base-Backbone interact. energy: -1.161
local terms energy: -195.803448
where:
bonds (distance) C4'-P energy: -39.495
bonds (distance) P-C4' energy: -40.304
flat angles C4'-P-C4' energy: -41.173
flat angles P-C4'-P energy: -22.237
tors. eta vs tors. theta energy: -52.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -506.403517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.403517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.403517 (E_RNA)
where:
Base-Base interactions energy: -331.678
where: short stacking energy: -161.380
Base-Backbone interact. energy: -0.321
local terms energy: -174.404073
where:
bonds (distance) C4'-P energy: -32.688
bonds (distance) P-C4' energy: -40.362
flat angles C4'-P-C4' energy: -32.738
flat angles P-C4'-P energy: -27.507
tors. eta vs tors. theta energy: -41.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -475.292321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.292321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.292321 (E_RNA)
where:
Base-Base interactions energy: -292.877
where: short stacking energy: -149.750
Base-Backbone interact. energy: -0.128
local terms energy: -182.287029
where:
bonds (distance) C4'-P energy: -41.297
bonds (distance) P-C4' energy: -38.164
flat angles C4'-P-C4' energy: -38.892
flat angles P-C4'-P energy: -22.456
tors. eta vs tors. theta energy: -41.478
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: 1
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -428.970257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.970257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.970257 (E_RNA)
where:
Base-Base interactions energy: -266.455
where: short stacking energy: -121.425
Base-Backbone interact. energy: -0.685
local terms energy: -161.829692
where:
bonds (distance) C4'-P energy: -27.994
bonds (distance) P-C4' energy: -34.726
flat angles C4'-P-C4' energy: -40.149
flat angles P-C4'-P energy: -23.384
tors. eta vs tors. theta energy: -35.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -353.520808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.520808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.520808 (E_RNA)
where:
Base-Base interactions energy: -200.973
where: short stacking energy: -111.411
Base-Backbone interact. energy: -1.757
local terms energy: -150.790938
where:
bonds (distance) C4'-P energy: -28.949
bonds (distance) P-C4' energy: -33.548
flat angles C4'-P-C4' energy: -38.136
flat angles P-C4'-P energy: -24.399
tors. eta vs tors. theta energy: -25.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -309.913939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.913939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.913939 (E_RNA)
where:
Base-Base interactions energy: -156.955
where: short stacking energy: -87.995
Base-Backbone interact. energy: -1.004
local terms energy: -151.955760
where:
bonds (distance) C4'-P energy: -36.776
bonds (distance) P-C4' energy: -34.810
flat angles C4'-P-C4' energy: -39.077
flat angles P-C4'-P energy: -21.728
tors. eta vs tors. theta energy: -19.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -191.090932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.090932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.090932 (E_RNA)
where:
Base-Base interactions energy: -56.747
where: short stacking energy: -46.279
Base-Backbone interact. energy: -0.274
local terms energy: -134.069699
where:
bonds (distance) C4'-P energy: -40.908
bonds (distance) P-C4' energy: -37.072
flat angles C4'-P-C4' energy: -35.433
flat angles P-C4'-P energy: -19.957
tors. eta vs tors. theta energy: -0.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -202.727581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.727581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.727581 (E_RNA)
where:
Base-Base interactions energy: -87.729
where: short stacking energy: -74.435
Base-Backbone interact. energy: -1.330
local terms energy: -113.669353
where:
bonds (distance) C4'-P energy: -25.435
bonds (distance) P-C4' energy: -39.031
flat angles C4'-P-C4' energy: -25.866
flat angles P-C4'-P energy: -14.623
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: 10, replica: 3
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -164.631966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.631966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.631966 (E_RNA)
where:
Base-Base interactions energy: -38.817
where: short stacking energy: -38.817
Base-Backbone interact. energy: 0.112
local terms energy: -125.927836
where:
bonds (distance) C4'-P energy: -37.037
bonds (distance) P-C4' energy: -39.784
flat angles C4'-P-C4' energy: -34.710
flat angles P-C4'-P energy: -15.296
tors. eta vs tors. theta energy: 0.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -611.267899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.267899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.267899 (E_RNA)
where:
Base-Base interactions energy: -422.187
where: short stacking energy: -166.983
Base-Backbone interact. energy: -0.407
local terms energy: -188.673362
where:
bonds (distance) C4'-P energy: -37.050
bonds (distance) P-C4' energy: -37.533
flat angles C4'-P-C4' energy: -36.002
flat angles P-C4'-P energy: -29.927
tors. eta vs tors. theta energy: -48.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -587.900053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.900053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.900053 (E_RNA)
where:
Base-Base interactions energy: -377.599
where: short stacking energy: -180.437
Base-Backbone interact. energy: -1.490
local terms energy: -208.810989
where:
bonds (distance) C4'-P energy: -41.389
bonds (distance) P-C4' energy: -37.615
flat angles C4'-P-C4' energy: -44.973
flat angles P-C4'-P energy: -30.937
tors. eta vs tors. theta energy: -53.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -509.707009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.707009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.707009 (E_RNA)
where:
Base-Base interactions energy: -315.301
where: short stacking energy: -174.440
Base-Backbone interact. energy: 2.198
local terms energy: -196.603316
where:
bonds (distance) C4'-P energy: -40.901
bonds (distance) P-C4' energy: -37.526
flat angles C4'-P-C4' energy: -42.627
flat angles P-C4'-P energy: -28.234
tors. eta vs tors. theta energy: -47.315
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: 10
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -488.832893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.832893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.832893 (E_RNA)
where:
Base-Base interactions energy: -312.653
where: short stacking energy: -155.364
Base-Backbone interact. energy: -0.502
local terms energy: -175.678360
where:
bonds (distance) C4'-P energy: -28.546
bonds (distance) P-C4' energy: -32.430
flat angles C4'-P-C4' energy: -40.201
flat angles P-C4'-P energy: -29.314
tors. eta vs tors. theta energy: -45.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -452.738892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.738892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.738892 (E_RNA)
where:
Base-Base interactions energy: -283.194
where: short stacking energy: -123.412
Base-Backbone interact. energy: -1.765
local terms energy: -167.779375
where:
bonds (distance) C4'-P energy: -38.225
bonds (distance) P-C4' energy: -24.744
flat angles C4'-P-C4' energy: -44.309
flat angles P-C4'-P energy: -29.133
tors. eta vs tors. theta energy: -31.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -384.925595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.925595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.925595 (E_RNA)
where:
Base-Base interactions energy: -232.082
where: short stacking energy: -122.437
Base-Backbone interact. energy: -1.520
local terms energy: -151.323670
where:
bonds (distance) C4'-P energy: -26.239
bonds (distance) P-C4' energy: -36.485
flat angles C4'-P-C4' energy: -32.133
flat angles P-C4'-P energy: -19.999
tors. eta vs tors. theta energy: -36.468
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: 2
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -323.564855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.564855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.564855 (E_RNA)
where:
Base-Base interactions energy: -165.616
where: short stacking energy: -93.251
Base-Backbone interact. energy: -0.783
local terms energy: -157.165433
where:
bonds (distance) C4'-P energy: -34.133
bonds (distance) P-C4' energy: -46.283
flat angles C4'-P-C4' energy: -34.291
flat angles P-C4'-P energy: -20.849
tors. eta vs tors. theta energy: -21.609
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: 8, replica: 5
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -210.620174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.620174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.620174 (E_RNA)
where:
Base-Base interactions energy: -77.148
where: short stacking energy: -73.157
Base-Backbone interact. energy: -0.598
local terms energy: -132.873794
where:
bonds (distance) C4'-P energy: -42.008
bonds (distance) P-C4' energy: -34.089
flat angles C4'-P-C4' energy: -22.561
flat angles P-C4'-P energy: -26.676
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: 9, replica: 8
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -176.620653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.620653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.620653 (E_RNA)
where:
Base-Base interactions energy: -75.611
where: short stacking energy: -63.652
Base-Backbone interact. energy: 0.487
local terms energy: -101.496157
where:
bonds (distance) C4'-P energy: -39.116
bonds (distance) P-C4' energy: -28.902
flat angles C4'-P-C4' energy: -19.607
flat angles P-C4'-P energy: -17.692
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: 3
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -180.608718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.608718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.608718 (E_RNA)
where:
Base-Base interactions energy: -55.993
where: short stacking energy: -51.080
Base-Backbone interact. energy: -0.050
local terms energy: -124.565746
where:
bonds (distance) C4'-P energy: -34.182
bonds (distance) P-C4' energy: -37.620
flat angles C4'-P-C4' energy: -26.097
flat angles P-C4'-P energy: -26.008
tors. eta vs tors. theta energy: -0.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -636.255215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.255215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.255215 (E_RNA)
where:
Base-Base interactions energy: -434.613
where: short stacking energy: -179.286
Base-Backbone interact. energy: -0.444
local terms energy: -201.197908
where:
bonds (distance) C4'-P energy: -35.116
bonds (distance) P-C4' energy: -40.241
flat angles C4'-P-C4' energy: -42.023
flat angles P-C4'-P energy: -31.036
tors. eta vs tors. theta energy: -52.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -583.230812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.230812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.230812 (E_RNA)
where:
Base-Base interactions energy: -383.739
where: short stacking energy: -172.727
Base-Backbone interact. energy: -1.406
local terms energy: -198.085863
where:
bonds (distance) C4'-P energy: -37.757
bonds (distance) P-C4' energy: -36.846
flat angles C4'-P-C4' energy: -42.684
flat angles P-C4'-P energy: -30.481
tors. eta vs tors. theta energy: -50.318
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: 10
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -532.066231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.066231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.066231 (E_RNA)
where:
Base-Base interactions energy: -320.236
where: short stacking energy: -183.397
Base-Backbone interact. energy: -0.921
local terms energy: -210.909173
where:
bonds (distance) C4'-P energy: -41.330
bonds (distance) P-C4' energy: -33.210
flat angles C4'-P-C4' energy: -48.029
flat angles P-C4'-P energy: -31.653
tors. eta vs tors. theta energy: -56.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -506.493607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.493607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.493607 (E_RNA)
where:
Base-Base interactions energy: -314.979
where: short stacking energy: -146.772
Base-Backbone interact. energy: -0.188
local terms energy: -191.327073
where:
bonds (distance) C4'-P energy: -30.550
bonds (distance) P-C4' energy: -47.123
flat angles C4'-P-C4' energy: -40.117
flat angles P-C4'-P energy: -30.289
tors. eta vs tors. theta energy: -43.248
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: 1
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -455.021232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.021232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.021232 (E_RNA)
where:
Base-Base interactions energy: -295.209
where: short stacking energy: -147.164
Base-Backbone interact. energy: 0.884
local terms energy: -160.696446
where:
bonds (distance) C4'-P energy: -39.486
bonds (distance) P-C4' energy: -31.916
flat angles C4'-P-C4' energy: -27.322
flat angles P-C4'-P energy: -23.128
tors. eta vs tors. theta energy: -38.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -394.535472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.535472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.535472 (E_RNA)
where:
Base-Base interactions energy: -238.975
where: short stacking energy: -135.416
Base-Backbone interact. energy: -0.068
local terms energy: -155.492480
where:
bonds (distance) C4'-P energy: -38.891
bonds (distance) P-C4' energy: -30.363
flat angles C4'-P-C4' energy: -36.440
flat angles P-C4'-P energy: -14.421
tors. eta vs tors. theta energy: -35.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -314.869359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.869359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.869359 (E_RNA)
where:
Base-Base interactions energy: -175.520
where: short stacking energy: -90.019
Base-Backbone interact. energy: -0.752
local terms energy: -138.597450
where:
bonds (distance) C4'-P energy: -30.616
bonds (distance) P-C4' energy: -34.532
flat angles C4'-P-C4' energy: -34.966
flat angles P-C4'-P energy: -27.048
tors. eta vs tors. theta energy: -11.435
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: 5
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -195.722436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.722436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.722436 (E_RNA)
where:
Base-Base interactions energy: -61.872
where: short stacking energy: -50.639
Base-Backbone interact. energy: 0.037
local terms energy: -133.887118
where:
bonds (distance) C4'-P energy: -41.866
bonds (distance) P-C4' energy: -48.375
flat angles C4'-P-C4' energy: -30.023
flat angles P-C4'-P energy: -15.145
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: 9, replica: 8
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -199.840491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.840491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.840491 (E_RNA)
where:
Base-Base interactions energy: -85.188
where: short stacking energy: -42.193
Base-Backbone interact. energy: -1.367
local terms energy: -113.285093
where:
bonds (distance) C4'-P energy: -39.496
bonds (distance) P-C4' energy: -37.849
flat angles C4'-P-C4' energy: -32.344
flat angles P-C4'-P energy: -9.204
tors. eta vs tors. theta energy: 5.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -173.950619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.950619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.950619 (E_RNA)
where:
Base-Base interactions energy: -59.715
where: short stacking energy: -39.691
Base-Backbone interact. energy: 1.782
local terms energy: -116.017078
where:
bonds (distance) C4'-P energy: -33.604
bonds (distance) P-C4' energy: -33.899
flat angles C4'-P-C4' energy: -28.649
flat angles P-C4'-P energy: -24.901
tors. eta vs tors. theta energy: 5.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -629.411843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.411843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.411843 (E_RNA)
where:
Base-Base interactions energy: -426.013
where: short stacking energy: -174.467
Base-Backbone interact. energy: -1.513
local terms energy: -201.885438
where:
bonds (distance) C4'-P energy: -35.824
bonds (distance) P-C4' energy: -42.039
flat angles C4'-P-C4' energy: -46.087
flat angles P-C4'-P energy: -31.139
tors. eta vs tors. theta energy: -46.796
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: 4
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -598.641041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.641041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.641041 (E_RNA)
where:
Base-Base interactions energy: -395.484
where: short stacking energy: -190.851
Base-Backbone interact. energy: -1.600
local terms energy: -201.557551
where:
bonds (distance) C4'-P energy: -35.507
bonds (distance) P-C4' energy: -33.434
flat angles C4'-P-C4' energy: -47.141
flat angles P-C4'-P energy: -31.144
tors. eta vs tors. theta energy: -54.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -538.352454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.352454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.352454 (E_RNA)
where:
Base-Base interactions energy: -334.825
where: short stacking energy: -173.610
Base-Backbone interact. energy: 0.425
local terms energy: -203.952563
where:
bonds (distance) C4'-P energy: -39.741
bonds (distance) P-C4' energy: -39.369
flat angles C4'-P-C4' energy: -39.636
flat angles P-C4'-P energy: -26.269
tors. eta vs tors. theta energy: -58.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -464.912882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.912882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.912882 (E_RNA)
where:
Base-Base interactions energy: -289.248
where: short stacking energy: -133.512
Base-Backbone interact. energy: 1.153
local terms energy: -176.817400
where:
bonds (distance) C4'-P energy: -37.336
bonds (distance) P-C4' energy: -42.844
flat angles C4'-P-C4' energy: -46.072
flat angles P-C4'-P energy: -19.790
tors. eta vs tors. theta energy: -30.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -409.487334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.487334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.487334 (E_RNA)
where:
Base-Base interactions energy: -247.626
where: short stacking energy: -93.886
Base-Backbone interact. energy: -0.768
local terms energy: -161.093587
where:
bonds (distance) C4'-P energy: -33.716
bonds (distance) P-C4' energy: -42.833
flat angles C4'-P-C4' energy: -39.251
flat angles P-C4'-P energy: -25.821
tors. eta vs tors. theta energy: -19.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -420.319319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.319319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.319319 (E_RNA)
where:
Base-Base interactions energy: -241.852
where: short stacking energy: -113.342
Base-Backbone interact. energy: -0.773
local terms energy: -177.694491
where:
bonds (distance) C4'-P energy: -39.906
bonds (distance) P-C4' energy: -43.006
flat angles C4'-P-C4' energy: -42.257
flat angles P-C4'-P energy: -21.674
tors. eta vs tors. theta energy: -30.852
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: 2
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -302.294605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.294605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.294605 (E_RNA)
where:
Base-Base interactions energy: -162.193
where: short stacking energy: -71.830
Base-Backbone interact. energy: -0.992
local terms energy: -139.109280
where:
bonds (distance) C4'-P energy: -37.942
bonds (distance) P-C4' energy: -32.385
flat angles C4'-P-C4' energy: -29.282
flat angles P-C4'-P energy: -21.643
tors. eta vs tors. theta energy: -17.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -183.516645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.516645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.516645 (E_RNA)
where:
Base-Base interactions energy: -60.460
where: short stacking energy: -47.265
Base-Backbone interact. energy: 3.411
local terms energy: -126.467650
where:
bonds (distance) C4'-P energy: -33.330
bonds (distance) P-C4' energy: -34.680
flat angles C4'-P-C4' energy: -32.347
flat angles P-C4'-P energy: -25.707
tors. eta vs tors. theta energy: -0.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -182.847934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.847934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.847934 (E_RNA)
where:
Base-Base interactions energy: -73.189
where: short stacking energy: -64.816
Base-Backbone interact. energy: 3.898
local terms energy: -113.557351
where:
bonds (distance) C4'-P energy: -30.583
bonds (distance) P-C4' energy: -41.790
flat angles C4'-P-C4' energy: -21.228
flat angles P-C4'-P energy: -21.329
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: 10, replica: 3
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -163.660421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.660421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.660421 (E_RNA)
where:
Base-Base interactions energy: -40.839
where: short stacking energy: -40.690
Base-Backbone interact. energy: -0.367
local terms energy: -122.454593
where:
bonds (distance) C4'-P energy: -38.000
bonds (distance) P-C4' energy: -39.909
flat angles C4'-P-C4' energy: -32.158
flat angles P-C4'-P energy: -19.161
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: 1, replica: 9
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -625.724837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.724837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.724837 (E_RNA)
where:
Base-Base interactions energy: -410.868
where: short stacking energy: -167.987
Base-Backbone interact. energy: -1.722
local terms energy: -213.135458
where:
bonds (distance) C4'-P energy: -39.458
bonds (distance) P-C4' energy: -45.565
flat angles C4'-P-C4' energy: -42.934
flat angles P-C4'-P energy: -30.073
tors. eta vs tors. theta energy: -55.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -583.586585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.586585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.586585 (E_RNA)
where:
Base-Base interactions energy: -372.808
where: short stacking energy: -164.419
Base-Backbone interact. energy: -1.706
local terms energy: -209.073323
where:
bonds (distance) C4'-P energy: -39.859
bonds (distance) P-C4' energy: -35.027
flat angles C4'-P-C4' energy: -42.709
flat angles P-C4'-P energy: -37.989
tors. eta vs tors. theta energy: -53.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -558.187993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.187993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.187993 (E_RNA)
where:
Base-Base interactions energy: -349.939
where: short stacking energy: -184.817
Base-Backbone interact. energy: -1.205
local terms energy: -207.043604
where:
bonds (distance) C4'-P energy: -31.380
bonds (distance) P-C4' energy: -40.120
flat angles C4'-P-C4' energy: -44.791
flat angles P-C4'-P energy: -33.188
tors. eta vs tors. theta energy: -57.565
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: 4, replica: 7
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -461.035607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.035607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.035607 (E_RNA)
where:
Base-Base interactions energy: -282.844
where: short stacking energy: -139.584
Base-Backbone interact. energy: -0.912
local terms energy: -177.279746
where:
bonds (distance) C4'-P energy: -35.997
bonds (distance) P-C4' energy: -44.126
flat angles C4'-P-C4' energy: -43.246
flat angles P-C4'-P energy: -18.936
tors. eta vs tors. theta energy: -34.975
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: 5, replica: 1
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -414.894308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.894308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.894308 (E_RNA)
where:
Base-Base interactions energy: -252.178
where: short stacking energy: -105.885
Base-Backbone interact. energy: -0.199
local terms energy: -162.517630
where:
bonds (distance) C4'-P energy: -36.975
bonds (distance) P-C4' energy: -32.005
flat angles C4'-P-C4' energy: -44.820
flat angles P-C4'-P energy: -19.209
tors. eta vs tors. theta energy: -29.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -447.808101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.808101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.808101 (E_RNA)
where:
Base-Base interactions energy: -274.816
where: short stacking energy: -145.182
Base-Backbone interact. energy: -1.449
local terms energy: -171.542511
where:
bonds (distance) C4'-P energy: -34.618
bonds (distance) P-C4' energy: -30.313
flat angles C4'-P-C4' energy: -38.704
flat angles P-C4'-P energy: -22.945
tors. eta vs tors. theta energy: -44.962
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: 2
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -297.346785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.346785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.346785 (E_RNA)
where:
Base-Base interactions energy: -156.130
where: short stacking energy: -91.813
Base-Backbone interact. energy: -0.371
local terms energy: -140.845350
where:
bonds (distance) C4'-P energy: -33.930
bonds (distance) P-C4' energy: -30.767
flat angles C4'-P-C4' energy: -38.028
flat angles P-C4'-P energy: -18.815
tors. eta vs tors. theta energy: -19.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -193.385863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.385863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.385863 (E_RNA)
where:
Base-Base interactions energy: -70.218
where: short stacking energy: -55.849
Base-Backbone interact. energy: -0.534
local terms energy: -122.634180
where:
bonds (distance) C4'-P energy: -31.669
bonds (distance) P-C4' energy: -41.811
flat angles C4'-P-C4' energy: -30.112
flat angles P-C4'-P energy: -21.696
tors. eta vs tors. theta energy: 2.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -191.077841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.077841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.077841 (E_RNA)
where:
Base-Base interactions energy: -68.107
where: short stacking energy: -58.351
Base-Backbone interact. energy: -0.246
local terms energy: -122.724689
where:
bonds (distance) C4'-P energy: -19.786
bonds (distance) P-C4' energy: -36.623
flat angles C4'-P-C4' energy: -36.941
flat angles P-C4'-P energy: -20.888
tors. eta vs tors. theta energy: -8.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -167.299881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.299881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.299881 (E_RNA)
where:
Base-Base interactions energy: -51.586
where: short stacking energy: -41.770
Base-Backbone interact. energy: -0.144
local terms energy: -115.570124
where:
bonds (distance) C4'-P energy: -30.974
bonds (distance) P-C4' energy: -29.494
flat angles C4'-P-C4' energy: -34.334
flat angles P-C4'-P energy: -16.938
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: 1, replica: 9
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -606.777641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.777641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.777641 (E_RNA)
where:
Base-Base interactions energy: -411.338
where: short stacking energy: -166.818
Base-Backbone interact. energy: -2.437
local terms energy: -193.001993
where:
bonds (distance) C4'-P energy: -37.663
bonds (distance) P-C4' energy: -44.198
flat angles C4'-P-C4' energy: -40.650
flat angles P-C4'-P energy: -24.517
tors. eta vs tors. theta energy: -45.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -583.239806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.239806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.239806 (E_RNA)
where:
Base-Base interactions energy: -380.619
where: short stacking energy: -168.052
Base-Backbone interact. energy: -1.000
local terms energy: -201.621637
where:
bonds (distance) C4'-P energy: -41.479
bonds (distance) P-C4' energy: -38.210
flat angles C4'-P-C4' energy: -39.820
flat angles P-C4'-P energy: -29.185
tors. eta vs tors. theta energy: -52.928
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: 3, replica: 10
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -550.855386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.855386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.855386 (E_RNA)
where:
Base-Base interactions energy: -356.207
where: short stacking energy: -170.989
Base-Backbone interact. energy: 0.629
local terms energy: -195.276823
where:
bonds (distance) C4'-P energy: -36.639
bonds (distance) P-C4' energy: -43.862
flat angles C4'-P-C4' energy: -35.672
flat angles P-C4'-P energy: -27.486
tors. eta vs tors. theta energy: -51.617
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: 39
Temperature: 1.050000
Total energy: -433.053931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.053931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.053931 (E_RNA)
where:
Base-Base interactions energy: -254.754
where: short stacking energy: -131.387
Base-Backbone interact. energy: -0.116
local terms energy: -178.183660
where:
bonds (distance) C4'-P energy: -39.301
bonds (distance) P-C4' energy: -40.122
flat angles C4'-P-C4' energy: -42.741
flat angles P-C4'-P energy: -19.547
tors. eta vs tors. theta energy: -36.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -455.055452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.055452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.055452 (E_RNA)
where:
Base-Base interactions energy: -278.688
where: short stacking energy: -119.547
Base-Backbone interact. energy: -0.046
local terms energy: -176.320959
where:
bonds (distance) C4'-P energy: -43.052
bonds (distance) P-C4' energy: -37.393
flat angles C4'-P-C4' energy: -34.619
flat angles P-C4'-P energy: -30.816
tors. eta vs tors. theta energy: -30.441
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: 6
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -453.522524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.522524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.522524 (E_RNA)
where:
Base-Base interactions energy: -290.339
where: short stacking energy: -134.288
Base-Backbone interact. energy: -1.444
local terms energy: -161.739126
where:
bonds (distance) C4'-P energy: -34.622
bonds (distance) P-C4' energy: -29.264
flat angles C4'-P-C4' energy: -33.775
flat angles P-C4'-P energy: -26.175
tors. eta vs tors. theta energy: -37.903
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: 7, replica: 2
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -284.799909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.799909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.799909 (E_RNA)
where:
Base-Base interactions energy: -156.402
where: short stacking energy: -71.968
Base-Backbone interact. energy: 1.031
local terms energy: -129.428915
where:
bonds (distance) C4'-P energy: -37.804
bonds (distance) P-C4' energy: -31.647
flat angles C4'-P-C4' energy: -28.110
flat angles P-C4'-P energy: -21.611
tors. eta vs tors. theta energy: -10.256
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: 8, replica: 3
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -204.209705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.209705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.209705 (E_RNA)
where:
Base-Base interactions energy: -78.092
where: short stacking energy: -61.909
Base-Backbone interact. energy: -0.856
local terms energy: -125.261326
where:
bonds (distance) C4'-P energy: -35.008
bonds (distance) P-C4' energy: -36.701
flat angles C4'-P-C4' energy: -27.310
flat angles P-C4'-P energy: -16.243
tors. eta vs tors. theta energy: -9.999
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: 39
Temperature: 1.300000
Total energy: -166.026526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.026526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.026526 (E_RNA)
where:
Base-Base interactions energy: -49.893
where: short stacking energy: -42.264
Base-Backbone interact. energy: -0.977
local terms energy: -115.156482
where:
bonds (distance) C4'-P energy: -37.430
bonds (distance) P-C4' energy: -38.944
flat angles C4'-P-C4' energy: -32.649
flat angles P-C4'-P energy: -3.816
tors. eta vs tors. theta energy: -2.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -172.643479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.643479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.643479 (E_RNA)
where:
Base-Base interactions energy: -59.532
where: short stacking energy: -57.960
Base-Backbone interact. energy: 2.298
local terms energy: -115.408999
where:
bonds (distance) C4'-P energy: -34.192
bonds (distance) P-C4' energy: -32.301
flat angles C4'-P-C4' energy: -28.678
flat angles P-C4'-P energy: -13.497
tors. eta vs tors. theta energy: -6.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -611.835213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.835213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.835213 (E_RNA)
where:
Base-Base interactions energy: -409.296
where: short stacking energy: -174.959
Base-Backbone interact. energy: -1.057
local terms energy: -201.482754
where:
bonds (distance) C4'-P energy: -32.700
bonds (distance) P-C4' energy: -40.687
flat angles C4'-P-C4' energy: -43.545
flat angles P-C4'-P energy: -33.401
tors. eta vs tors. theta energy: -51.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -591.510231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.510231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.510231 (E_RNA)
where:
Base-Base interactions energy: -398.387
where: short stacking energy: -190.992
Base-Backbone interact. energy: -0.367
local terms energy: -192.756606
where:
bonds (distance) C4'-P energy: -38.859
bonds (distance) P-C4' energy: -34.282
flat angles C4'-P-C4' energy: -40.004
flat angles P-C4'-P energy: -25.517
tors. eta vs tors. theta energy: -54.095
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: 3, replica: 10
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -547.752364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.752364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.752364 (E_RNA)
where:
Base-Base interactions energy: -353.757
where: short stacking energy: -179.429
Base-Backbone interact. energy: -0.314
local terms energy: -193.680552
where:
bonds (distance) C4'-P energy: -34.640
bonds (distance) P-C4' energy: -38.306
flat angles C4'-P-C4' energy: -45.587
flat angles P-C4'-P energy: -25.138
tors. eta vs tors. theta energy: -50.010
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: 40
Temperature: 1.050000
Total energy: -476.223888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.223888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.223888 (E_RNA)
where:
Base-Base interactions energy: -297.684
where: short stacking energy: -154.105
Base-Backbone interact. energy: -1.062
local terms energy: -177.477275
where:
bonds (distance) C4'-P energy: -38.511
bonds (distance) P-C4' energy: -27.649
flat angles C4'-P-C4' energy: -44.641
flat angles P-C4'-P energy: -26.639
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: 5, replica: 6
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -473.839309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.839309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.839309 (E_RNA)
where:
Base-Base interactions energy: -290.529
where: short stacking energy: -131.690
Base-Backbone interact. energy: 0.580
local terms energy: -183.890672
where:
bonds (distance) C4'-P energy: -40.394
bonds (distance) P-C4' energy: -37.298
flat angles C4'-P-C4' energy: -37.682
flat angles P-C4'-P energy: -25.843
tors. eta vs tors. theta energy: -42.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -422.194435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.194435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.194435 (E_RNA)
where:
Base-Base interactions energy: -269.536
where: short stacking energy: -106.605
Base-Backbone interact. energy: -0.708
local terms energy: -151.949815
where:
bonds (distance) C4'-P energy: -33.489
bonds (distance) P-C4' energy: -42.461
flat angles C4'-P-C4' energy: -30.898
flat angles P-C4'-P energy: -17.128
tors. eta vs tors. theta energy: -27.974
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: 2
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -320.076908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.076908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.076908 (E_RNA)
where:
Base-Base interactions energy: -188.886
where: short stacking energy: -101.568
Base-Backbone interact. energy: -0.855
local terms energy: -130.335917
where:
bonds (distance) C4'-P energy: -33.625
bonds (distance) P-C4' energy: -28.446
flat angles C4'-P-C4' energy: -31.164
flat angles P-C4'-P energy: -16.814
tors. eta vs tors. theta energy: -20.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -206.805442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.805442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.805442 (E_RNA)
where:
Base-Base interactions energy: -97.850
where: short stacking energy: -58.297
Base-Backbone interact. energy: 1.008
local terms energy: -109.964051
where:
bonds (distance) C4'-P energy: -36.780
bonds (distance) P-C4' energy: -33.575
flat angles C4'-P-C4' energy: -37.459
flat angles P-C4'-P energy: -4.221
tors. eta vs tors. theta energy: 2.071
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: 8
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -192.752735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.752735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.752735 (E_RNA)
where:
Base-Base interactions energy: -70.775
where: short stacking energy: -46.998
Base-Backbone interact. energy: -0.774
local terms energy: -121.204189
where:
bonds (distance) C4'-P energy: -37.015
bonds (distance) P-C4' energy: -42.870
flat angles C4'-P-C4' energy: -25.880
flat angles P-C4'-P energy: -19.812
tors. eta vs tors. theta energy: 4.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -162.938806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.938806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.938806 (E_RNA)
where:
Base-Base interactions energy: -62.309
where: short stacking energy: -54.937
Base-Backbone interact. energy: 0.212
local terms energy: -100.841803
where:
bonds (distance) C4'-P energy: -34.370
bonds (distance) P-C4' energy: -19.231
flat angles C4'-P-C4' energy: -24.657
flat angles P-C4'-P energy: -23.643
tors. eta vs tors. theta energy: 1.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -585.497725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.497725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.497725 (E_RNA)
where:
Base-Base interactions energy: -402.869
where: short stacking energy: -170.116
Base-Backbone interact. energy: -1.338
local terms energy: -181.290986
where:
bonds (distance) C4'-P energy: -39.951
bonds (distance) P-C4' energy: -28.843
flat angles C4'-P-C4' energy: -42.299
flat angles P-C4'-P energy: -24.271
tors. eta vs tors. theta energy: -45.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -581.386611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.386611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.386611 (E_RNA)
where:
Base-Base interactions energy: -382.248
where: short stacking energy: -184.921
Base-Backbone interact. energy: -0.569
local terms energy: -198.569873
where:
bonds (distance) C4'-P energy: -36.777
bonds (distance) P-C4' energy: -41.659
flat angles C4'-P-C4' energy: -42.096
flat angles P-C4'-P energy: -26.779
tors. eta vs tors. theta energy: -51.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -549.913443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.913443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.913443 (E_RNA)
where:
Base-Base interactions energy: -347.334
where: short stacking energy: -171.723
Base-Backbone interact. energy: -0.605
local terms energy: -201.974134
where:
bonds (distance) C4'-P energy: -35.904
bonds (distance) P-C4' energy: -33.805
flat angles C4'-P-C4' energy: -43.325
flat angles P-C4'-P energy: -30.032
tors. eta vs tors. theta energy: -58.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -493.820339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.820339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.820339 (E_RNA)
where:
Base-Base interactions energy: -297.218
where: short stacking energy: -148.311
Base-Backbone interact. energy: 0.749
local terms energy: -197.352158
where:
bonds (distance) C4'-P energy: -37.795
bonds (distance) P-C4' energy: -40.771
flat angles C4'-P-C4' energy: -37.582
flat angles P-C4'-P energy: -31.214
tors. eta vs tors. theta energy: -49.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -448.056243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.056243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.056243 (E_RNA)
where:
Base-Base interactions energy: -278.958
where: short stacking energy: -126.634
Base-Backbone interact. energy: -0.693
local terms energy: -168.404813
where:
bonds (distance) C4'-P energy: -37.951
bonds (distance) P-C4' energy: -40.254
flat angles C4'-P-C4' energy: -39.794
flat angles P-C4'-P energy: -15.213
tors. eta vs tors. theta energy: -35.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -422.441161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.441161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.441161 (E_RNA)
where:
Base-Base interactions energy: -258.390
where: short stacking energy: -105.556
Base-Backbone interact. energy: -0.768
local terms energy: -163.283943
where:
bonds (distance) C4'-P energy: -43.010
bonds (distance) P-C4' energy: -40.336
flat angles C4'-P-C4' energy: -39.639
flat angles P-C4'-P energy: -24.212
tors. eta vs tors. theta energy: -16.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -268.846363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.846363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.846363 (E_RNA)
where:
Base-Base interactions energy: -149.290
where: short stacking energy: -85.196
Base-Backbone interact. energy: -0.418
local terms energy: -119.138361
where:
bonds (distance) C4'-P energy: -22.410
bonds (distance) P-C4' energy: -29.397
flat angles C4'-P-C4' energy: -38.784
flat angles P-C4'-P energy: -12.703
tors. eta vs tors. theta energy: -15.844
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: 8, replica: 3
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -195.364351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.364351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.364351 (E_RNA)
where:
Base-Base interactions energy: -64.782
where: short stacking energy: -51.842
Base-Backbone interact. energy: -0.952
local terms energy: -129.630363
where:
bonds (distance) C4'-P energy: -39.419
bonds (distance) P-C4' energy: -36.576
flat angles C4'-P-C4' energy: -36.279
flat angles P-C4'-P energy: -12.580
tors. eta vs tors. theta energy: -4.776
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: 8
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -194.116648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.116648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.116648 (E_RNA)
where:
Base-Base interactions energy: -72.969
where: short stacking energy: -49.005
Base-Backbone interact. energy: -0.325
local terms energy: -120.821944
where:
bonds (distance) C4'-P energy: -21.065
bonds (distance) P-C4' energy: -43.270
flat angles C4'-P-C4' energy: -30.156
flat angles P-C4'-P energy: -23.010
tors. eta vs tors. theta energy: -3.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -174.048374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.048374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.048374 (E_RNA)
where:
Base-Base interactions energy: -58.056
where: short stacking energy: -53.782
Base-Backbone interact. energy: -0.081
local terms energy: -115.911638
where:
bonds (distance) C4'-P energy: -23.790
bonds (distance) P-C4' energy: -32.754
flat angles C4'-P-C4' energy: -35.790
flat angles P-C4'-P energy: -18.798
tors. eta vs tors. theta energy: -4.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -609.764141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.764141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.764141 (E_RNA)
where:
Base-Base interactions energy: -402.114
where: short stacking energy: -172.235
Base-Backbone interact. energy: -2.912
local terms energy: -204.737652
where:
bonds (distance) C4'-P energy: -35.556
bonds (distance) P-C4' energy: -42.532
flat angles C4'-P-C4' energy: -44.227
flat angles P-C4'-P energy: -32.573
tors. eta vs tors. theta energy: -49.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -567.478107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.478107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.478107 (E_RNA)
where:
Base-Base interactions energy: -374.767
where: short stacking energy: -169.948
Base-Backbone interact. energy: -0.081
local terms energy: -192.630365
where:
bonds (distance) C4'-P energy: -44.741
bonds (distance) P-C4' energy: -36.289
flat angles C4'-P-C4' energy: -40.772
flat angles P-C4'-P energy: -20.928
tors. eta vs tors. theta energy: -49.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -543.701264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.701264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.701264 (E_RNA)
where:
Base-Base interactions energy: -347.623
where: short stacking energy: -172.880
Base-Backbone interact. energy: -0.493
local terms energy: -195.585185
where:
bonds (distance) C4'-P energy: -38.510
bonds (distance) P-C4' energy: -39.657
flat angles C4'-P-C4' energy: -41.336
flat angles P-C4'-P energy: -28.081
tors. eta vs tors. theta energy: -48.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -485.434064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.434064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.434064 (E_RNA)
where:
Base-Base interactions energy: -311.205
where: short stacking energy: -153.724
Base-Backbone interact. energy: -0.641
local terms energy: -173.587708
where:
bonds (distance) C4'-P energy: -35.621
bonds (distance) P-C4' energy: -38.400
flat angles C4'-P-C4' energy: -39.220
flat angles P-C4'-P energy: -20.270
tors. eta vs tors. theta energy: -40.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -437.833404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.833404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.833404 (E_RNA)
where:
Base-Base interactions energy: -259.463
where: short stacking energy: -122.371
Base-Backbone interact. energy: -1.401
local terms energy: -176.969695
where:
bonds (distance) C4'-P energy: -37.732
bonds (distance) P-C4' energy: -37.139
flat angles C4'-P-C4' energy: -40.720
flat angles P-C4'-P energy: -23.032
tors. eta vs tors. theta energy: -38.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -441.374355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.374355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.374355 (E_RNA)
where:
Base-Base interactions energy: -284.484
where: short stacking energy: -103.416
Base-Backbone interact. energy: -1.514
local terms energy: -155.376455
where:
bonds (distance) C4'-P energy: -33.356
bonds (distance) P-C4' energy: -34.827
flat angles C4'-P-C4' energy: -38.770
flat angles P-C4'-P energy: -22.281
tors. eta vs tors. theta energy: -26.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -262.065714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.065714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.065714 (E_RNA)
where:
Base-Base interactions energy: -130.278
where: short stacking energy: -70.155
Base-Backbone interact. energy: -0.719
local terms energy: -131.068984
where:
bonds (distance) C4'-P energy: -29.179
bonds (distance) P-C4' energy: -43.707
flat angles C4'-P-C4' energy: -35.087
flat angles P-C4'-P energy: -19.230
tors. eta vs tors. theta energy: -3.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -276.970280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.970280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.970280 (E_RNA)
where:
Base-Base interactions energy: -151.178
where: short stacking energy: -70.804
Base-Backbone interact. energy: -0.837
local terms energy: -124.955504
where:
bonds (distance) C4'-P energy: -15.916
bonds (distance) P-C4' energy: -43.987
flat angles C4'-P-C4' energy: -32.858
flat angles P-C4'-P energy: -22.121
tors. eta vs tors. theta energy: -10.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -177.446578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.446578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.446578 (E_RNA)
where:
Base-Base interactions energy: -53.316
where: short stacking energy: -48.364
Base-Backbone interact. energy: 0.148
local terms energy: -124.278383
where:
bonds (distance) C4'-P energy: -34.357
bonds (distance) P-C4' energy: -40.509
flat angles C4'-P-C4' energy: -29.202
flat angles P-C4'-P energy: -24.113
tors. eta vs tors. theta energy: 3.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -183.288200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.288200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.288200 (E_RNA)
where:
Base-Base interactions energy: -80.758
where: short stacking energy: -57.206
Base-Backbone interact. energy: 0.372
local terms energy: -102.902829
where:
bonds (distance) C4'-P energy: -30.952
bonds (distance) P-C4' energy: -38.371
flat angles C4'-P-C4' energy: -19.973
flat angles P-C4'-P energy: -21.843
tors. eta vs tors. theta energy: 8.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -623.855904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.855904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.855904 (E_RNA)
where:
Base-Base interactions energy: -418.181
where: short stacking energy: -186.401
Base-Backbone interact. energy: -0.882
local terms energy: -204.792385
where:
bonds (distance) C4'-P energy: -38.192
bonds (distance) P-C4' energy: -41.985
flat angles C4'-P-C4' energy: -44.094
flat angles P-C4'-P energy: -33.287
tors. eta vs tors. theta energy: -47.235
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: 10
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -570.441585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.441585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.441585 (E_RNA)
where:
Base-Base interactions energy: -365.368
where: short stacking energy: -181.219
Base-Backbone interact. energy: -1.245
local terms energy: -203.829164
where:
bonds (distance) C4'-P energy: -39.967
bonds (distance) P-C4' energy: -42.133
flat angles C4'-P-C4' energy: -43.859
flat angles P-C4'-P energy: -25.716
tors. eta vs tors. theta energy: -52.154
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: 4
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -556.929663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.929663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.929663 (E_RNA)
where:
Base-Base interactions energy: -382.963
where: short stacking energy: -171.723
Base-Backbone interact. energy: -2.688
local terms energy: -171.278612
where:
bonds (distance) C4'-P energy: -24.455
bonds (distance) P-C4' energy: -40.044
flat angles C4'-P-C4' energy: -39.924
flat angles P-C4'-P energy: -15.460
tors. eta vs tors. theta energy: -51.396
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: 4, replica: 6
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -478.954077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.954077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.954077 (E_RNA)
where:
Base-Base interactions energy: -303.098
where: short stacking energy: -148.858
Base-Backbone interact. energy: 0.740
local terms energy: -176.595226
where:
bonds (distance) C4'-P energy: -34.917
bonds (distance) P-C4' energy: -34.094
flat angles C4'-P-C4' energy: -33.355
flat angles P-C4'-P energy: -33.230
tors. eta vs tors. theta energy: -40.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -432.112089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.112089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.112089 (E_RNA)
where:
Base-Base interactions energy: -268.956
where: short stacking energy: -119.354
Base-Backbone interact. energy: -0.383
local terms energy: -162.773279
where:
bonds (distance) C4'-P energy: -35.963
bonds (distance) P-C4' energy: -38.741
flat angles C4'-P-C4' energy: -33.930
flat angles P-C4'-P energy: -23.502
tors. eta vs tors. theta energy: -30.639
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: 43
Temperature: 1.150000
Total energy: -382.978532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.978532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.978532 (E_RNA)
where:
Base-Base interactions energy: -232.055
where: short stacking energy: -109.600
Base-Backbone interact. energy: 1.297
local terms energy: -152.220467
where:
bonds (distance) C4'-P energy: -27.579
bonds (distance) P-C4' energy: -38.552
flat angles C4'-P-C4' energy: -29.478
flat angles P-C4'-P energy: -26.455
tors. eta vs tors. theta energy: -30.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -260.517686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.517686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.517686 (E_RNA)
where:
Base-Base interactions energy: -128.114
where: short stacking energy: -77.090
Base-Backbone interact. energy: 5.033
local terms energy: -137.436790
where:
bonds (distance) C4'-P energy: -39.575
bonds (distance) P-C4' energy: -41.664
flat angles C4'-P-C4' energy: -34.044
flat angles P-C4'-P energy: -15.452
tors. eta vs tors. theta energy: -6.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -264.561074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.561074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.561074 (E_RNA)
where:
Base-Base interactions energy: -131.651
where: short stacking energy: -66.199
Base-Backbone interact. energy: 3.461
local terms energy: -136.371054
where:
bonds (distance) C4'-P energy: -37.454
bonds (distance) P-C4' energy: -31.420
flat angles C4'-P-C4' energy: -34.445
flat angles P-C4'-P energy: -27.258
tors. eta vs tors. theta energy: -5.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -178.946809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.946809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.946809 (E_RNA)
where:
Base-Base interactions energy: -64.835
where: short stacking energy: -46.383
Base-Backbone interact. energy: -1.380
local terms energy: -112.732297
where:
bonds (distance) C4'-P energy: -31.892
bonds (distance) P-C4' energy: -28.004
flat angles C4'-P-C4' energy: -30.803
flat angles P-C4'-P energy: -22.084
tors. eta vs tors. theta energy: 0.050
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: 8
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -177.581292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.581292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.581292 (E_RNA)
where:
Base-Base interactions energy: -52.602
where: short stacking energy: -50.312
Base-Backbone interact. energy: -0.032
local terms energy: -124.946677
where:
bonds (distance) C4'-P energy: -34.288
bonds (distance) P-C4' energy: -41.366
flat angles C4'-P-C4' energy: -35.521
flat angles P-C4'-P energy: -22.490
tors. eta vs tors. theta energy: 8.717
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: 9
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -617.304617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.304617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.304617 (E_RNA)
where:
Base-Base interactions energy: -420.251
where: short stacking energy: -168.726
Base-Backbone interact. energy: -1.396
local terms energy: -195.656847
where:
bonds (distance) C4'-P energy: -38.782
bonds (distance) P-C4' energy: -40.075
flat angles C4'-P-C4' energy: -36.464
flat angles P-C4'-P energy: -31.604
tors. eta vs tors. theta energy: -48.731
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: 10
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -577.820673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.820673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.820673 (E_RNA)
where:
Base-Base interactions energy: -363.606
where: short stacking energy: -177.302
Base-Backbone interact. energy: -3.536
local terms energy: -210.678999
where:
bonds (distance) C4'-P energy: -28.573
bonds (distance) P-C4' energy: -44.396
flat angles C4'-P-C4' energy: -44.557
flat angles P-C4'-P energy: -35.377
tors. eta vs tors. theta energy: -57.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -568.793857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.793857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.793857 (E_RNA)
where:
Base-Base interactions energy: -367.704
where: short stacking energy: -156.471
Base-Backbone interact. energy: -0.006
local terms energy: -201.083340
where:
bonds (distance) C4'-P energy: -38.266
bonds (distance) P-C4' energy: -41.950
flat angles C4'-P-C4' energy: -42.843
flat angles P-C4'-P energy: -31.021
tors. eta vs tors. theta energy: -47.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -472.390265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.390265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.390265 (E_RNA)
where:
Base-Base interactions energy: -283.337
where: short stacking energy: -130.685
Base-Backbone interact. energy: -1.102
local terms energy: -187.951300
where:
bonds (distance) C4'-P energy: -35.087
bonds (distance) P-C4' energy: -39.619
flat angles C4'-P-C4' energy: -45.951
flat angles P-C4'-P energy: -24.660
tors. eta vs tors. theta energy: -42.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -426.147139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.147139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.147139 (E_RNA)
where:
Base-Base interactions energy: -252.530
where: short stacking energy: -111.528
Base-Backbone interact. energy: 1.539
local terms energy: -175.156119
where:
bonds (distance) C4'-P energy: -38.298
bonds (distance) P-C4' energy: -39.218
flat angles C4'-P-C4' energy: -38.628
flat angles P-C4'-P energy: -27.291
tors. eta vs tors. theta energy: -31.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -402.788481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.788481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.788481 (E_RNA)
where:
Base-Base interactions energy: -249.763
where: short stacking energy: -115.134
Base-Backbone interact. energy: -1.583
local terms energy: -151.442483
where:
bonds (distance) C4'-P energy: -31.991
bonds (distance) P-C4' energy: -37.088
flat angles C4'-P-C4' energy: -37.351
flat angles P-C4'-P energy: -20.969
tors. eta vs tors. theta energy: -24.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -296.554446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.554446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.554446 (E_RNA)
where:
Base-Base interactions energy: -159.570
where: short stacking energy: -81.281
Base-Backbone interact. energy: 0.130
local terms energy: -137.114945
where:
bonds (distance) C4'-P energy: -28.515
bonds (distance) P-C4' energy: -30.890
flat angles C4'-P-C4' energy: -32.391
flat angles P-C4'-P energy: -26.430
tors. eta vs tors. theta energy: -18.889
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: 3
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -212.482951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.482951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.482951 (E_RNA)
where:
Base-Base interactions energy: -106.116
where: short stacking energy: -62.472
Base-Backbone interact. energy: 2.126
local terms energy: -108.493181
where:
bonds (distance) C4'-P energy: -34.994
bonds (distance) P-C4' energy: -27.835
flat angles C4'-P-C4' energy: -29.430
flat angles P-C4'-P energy: -15.599
tors. eta vs tors. theta energy: -0.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -188.327786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.327786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.327786 (E_RNA)
where:
Base-Base interactions energy: -81.155
where: short stacking energy: -35.893
Base-Backbone interact. energy: -0.433
local terms energy: -106.739939
where:
bonds (distance) C4'-P energy: -32.300
bonds (distance) P-C4' energy: -31.732
flat angles C4'-P-C4' energy: -32.172
flat angles P-C4'-P energy: -16.748
tors. eta vs tors. theta energy: 6.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -175.203434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.203434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.203434 (E_RNA)
where:
Base-Base interactions energy: -65.226
where: short stacking energy: -60.810
Base-Backbone interact. energy: -0.981
local terms energy: -108.996913
where:
bonds (distance) C4'-P energy: -39.475
bonds (distance) P-C4' energy: -39.705
flat angles C4'-P-C4' energy: -15.307
flat angles P-C4'-P energy: -17.668
tors. eta vs tors. theta energy: 3.158
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: 9
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -617.880021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.880021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.880021 (E_RNA)
where:
Base-Base interactions energy: -419.144
where: short stacking energy: -172.665
Base-Backbone interact. energy: -2.166
local terms energy: -196.570199
where:
bonds (distance) C4'-P energy: -38.106
bonds (distance) P-C4' energy: -39.612
flat angles C4'-P-C4' energy: -46.314
flat angles P-C4'-P energy: -27.306
tors. eta vs tors. theta energy: -45.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -593.676737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.676737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.676737 (E_RNA)
where:
Base-Base interactions energy: -391.531
where: short stacking energy: -159.891
Base-Backbone interact. energy: 0.845
local terms energy: -202.990384
where:
bonds (distance) C4'-P energy: -42.580
bonds (distance) P-C4' energy: -40.727
flat angles C4'-P-C4' energy: -39.959
flat angles P-C4'-P energy: -33.470
tors. eta vs tors. theta energy: -46.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -546.816189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.816189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.816189 (E_RNA)
where:
Base-Base interactions energy: -346.788
where: short stacking energy: -174.714
Base-Backbone interact. energy: -0.868
local terms energy: -199.159436
where:
bonds (distance) C4'-P energy: -35.959
bonds (distance) P-C4' energy: -39.494
flat angles C4'-P-C4' energy: -46.416
flat angles P-C4'-P energy: -28.576
tors. eta vs tors. theta energy: -48.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -441.956879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.956879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.956879 (E_RNA)
where:
Base-Base interactions energy: -287.180
where: short stacking energy: -126.996
Base-Backbone interact. energy: -0.380
local terms energy: -154.396745
where:
bonds (distance) C4'-P energy: -32.837
bonds (distance) P-C4' energy: -34.004
flat angles C4'-P-C4' energy: -31.025
flat angles P-C4'-P energy: -21.702
tors. eta vs tors. theta energy: -34.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -475.896344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.896344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.896344 (E_RNA)
where:
Base-Base interactions energy: -297.104
where: short stacking energy: -140.679
Base-Backbone interact. energy: -0.999
local terms energy: -177.792996
where:
bonds (distance) C4'-P energy: -35.487
bonds (distance) P-C4' energy: -37.272
flat angles C4'-P-C4' energy: -37.686
flat angles P-C4'-P energy: -24.285
tors. eta vs tors. theta energy: -43.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -401.685554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.685554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.685554 (E_RNA)
where:
Base-Base interactions energy: -253.397
where: short stacking energy: -123.927
Base-Backbone interact. energy: 2.527
local terms energy: -150.814822
where:
bonds (distance) C4'-P energy: -36.773
bonds (distance) P-C4' energy: -33.562
flat angles C4'-P-C4' energy: -39.446
flat angles P-C4'-P energy: -10.179
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: 7, replica: 2
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -292.916388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.916388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.916388 (E_RNA)
where:
Base-Base interactions energy: -173.633
where: short stacking energy: -102.622
Base-Backbone interact. energy: 0.299
local terms energy: -119.582330
where:
bonds (distance) C4'-P energy: -18.046
bonds (distance) P-C4' energy: -26.130
flat angles C4'-P-C4' energy: -40.125
flat angles P-C4'-P energy: -20.073
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: 3
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -189.228550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.228550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.228550 (E_RNA)
where:
Base-Base interactions energy: -81.921
where: short stacking energy: -50.455
Base-Backbone interact. energy: 0.137
local terms energy: -107.444158
where:
bonds (distance) C4'-P energy: -42.073
bonds (distance) P-C4' energy: -29.773
flat angles C4'-P-C4' energy: -29.437
flat angles P-C4'-P energy: -13.510
tors. eta vs tors. theta energy: 7.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -204.339030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.339030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.339030 (E_RNA)
where:
Base-Base interactions energy: -86.935
where: short stacking energy: -69.515
Base-Backbone interact. energy: 0.236
local terms energy: -117.640427
where:
bonds (distance) C4'-P energy: -35.707
bonds (distance) P-C4' energy: -37.692
flat angles C4'-P-C4' energy: -18.837
flat angles P-C4'-P energy: -23.677
tors. eta vs tors. theta energy: -1.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -172.279585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.279585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.279585 (E_RNA)
where:
Base-Base interactions energy: -70.463
where: short stacking energy: -46.600
Base-Backbone interact. energy: -0.317
local terms energy: -101.499578
where:
bonds (distance) C4'-P energy: -24.293
bonds (distance) P-C4' energy: -36.310
flat angles C4'-P-C4' energy: -23.332
flat angles P-C4'-P energy: -13.363
tors. eta vs tors. theta energy: -4.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -634.378054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.378054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.378054 (E_RNA)
where:
Base-Base interactions energy: -438.317
where: short stacking energy: -171.596
Base-Backbone interact. energy: -1.227
local terms energy: -194.833832
where:
bonds (distance) C4'-P energy: -41.498
bonds (distance) P-C4' energy: -36.615
flat angles C4'-P-C4' energy: -40.217
flat angles P-C4'-P energy: -23.995
tors. eta vs tors. theta energy: -52.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -581.128178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.128178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.128178 (E_RNA)
where:
Base-Base interactions energy: -388.720
where: short stacking energy: -159.912
Base-Backbone interact. energy: -1.269
local terms energy: -191.139808
where:
bonds (distance) C4'-P energy: -34.215
bonds (distance) P-C4' energy: -43.651
flat angles C4'-P-C4' energy: -38.920
flat angles P-C4'-P energy: -25.819
tors. eta vs tors. theta energy: -48.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -522.460642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.460642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.460642 (E_RNA)
where:
Base-Base interactions energy: -322.599
where: short stacking energy: -157.271
Base-Backbone interact. energy: -1.542
local terms energy: -198.319693
where:
bonds (distance) C4'-P energy: -40.847
bonds (distance) P-C4' energy: -44.909
flat angles C4'-P-C4' energy: -35.436
flat angles P-C4'-P energy: -33.764
tors. eta vs tors. theta energy: -43.363
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: 1
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -464.278448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.278448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.278448 (E_RNA)
where:
Base-Base interactions energy: -298.468
where: short stacking energy: -129.388
Base-Backbone interact. energy: -0.518
local terms energy: -165.291996
where:
bonds (distance) C4'-P energy: -40.389
bonds (distance) P-C4' energy: -34.534
flat angles C4'-P-C4' energy: -41.320
flat angles P-C4'-P energy: -22.956
tors. eta vs tors. theta energy: -26.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -474.408537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.408537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.408537 (E_RNA)
where:
Base-Base interactions energy: -305.743
where: short stacking energy: -137.800
Base-Backbone interact. energy: -0.139
local terms energy: -168.526058
where:
bonds (distance) C4'-P energy: -32.293
bonds (distance) P-C4' energy: -40.790
flat angles C4'-P-C4' energy: -40.287
flat angles P-C4'-P energy: -26.503
tors. eta vs tors. theta energy: -28.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -350.277572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.277572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.277572 (E_RNA)
where:
Base-Base interactions energy: -199.564
where: short stacking energy: -108.866
Base-Backbone interact. energy: -0.030
local terms energy: -150.683400
where:
bonds (distance) C4'-P energy: -33.997
bonds (distance) P-C4' energy: -33.314
flat angles C4'-P-C4' energy: -39.806
flat angles P-C4'-P energy: -15.565
tors. eta vs tors. theta energy: -28.002
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: 2
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -294.107099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.107099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.107099 (E_RNA)
where:
Base-Base interactions energy: -149.374
where: short stacking energy: -75.968
Base-Backbone interact. energy: 0.451
local terms energy: -145.183798
where:
bonds (distance) C4'-P energy: -39.568
bonds (distance) P-C4' energy: -37.633
flat angles C4'-P-C4' energy: -38.829
flat angles P-C4'-P energy: -20.405
tors. eta vs tors. theta energy: -8.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -194.406292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.406292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.406292 (E_RNA)
where:
Base-Base interactions energy: -64.242
where: short stacking energy: -38.015
Base-Backbone interact. energy: -1.160
local terms energy: -129.004201
where:
bonds (distance) C4'-P energy: -33.716
bonds (distance) P-C4' energy: -40.089
flat angles C4'-P-C4' energy: -35.274
flat angles P-C4'-P energy: -26.080
tors. eta vs tors. theta energy: 6.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -214.612461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.612461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.612461 (E_RNA)
where:
Base-Base interactions energy: -72.647
where: short stacking energy: -58.990
Base-Backbone interact. energy: -0.923
local terms energy: -141.042824
where:
bonds (distance) C4'-P energy: -37.107
bonds (distance) P-C4' energy: -38.074
flat angles C4'-P-C4' energy: -38.451
flat angles P-C4'-P energy: -16.089
tors. eta vs tors. theta energy: -11.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -181.252465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.252465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.252465 (E_RNA)
where:
Base-Base interactions energy: -75.157
where: short stacking energy: -54.884
Base-Backbone interact. energy: -1.752
local terms energy: -104.343069
where:
bonds (distance) C4'-P energy: -30.839
bonds (distance) P-C4' energy: -38.000
flat angles C4'-P-C4' energy: -26.516
flat angles P-C4'-P energy: -10.825
tors. eta vs tors. theta energy: 1.837
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: 9
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -630.928353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.928353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.928353 (E_RNA)
where:
Base-Base interactions energy: -438.126
where: short stacking energy: -178.003
Base-Backbone interact. energy: -1.051
local terms energy: -191.751103
where:
bonds (distance) C4'-P energy: -29.923
bonds (distance) P-C4' energy: -44.841
flat angles C4'-P-C4' energy: -37.728
flat angles P-C4'-P energy: -30.441
tors. eta vs tors. theta energy: -48.818
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: 4
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -561.933367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.933367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.933367 (E_RNA)
where:
Base-Base interactions energy: -355.507
where: short stacking energy: -163.886
Base-Backbone interact. energy: -0.463
local terms energy: -205.963801
where:
bonds (distance) C4'-P energy: -40.231
bonds (distance) P-C4' energy: -46.361
flat angles C4'-P-C4' energy: -39.054
flat angles P-C4'-P energy: -32.949
tors. eta vs tors. theta energy: -47.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -525.045468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.045468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.045468 (E_RNA)
where:
Base-Base interactions energy: -321.518
where: short stacking energy: -175.772
Base-Backbone interact. energy: -0.667
local terms energy: -202.860326
where:
bonds (distance) C4'-P energy: -43.616
bonds (distance) P-C4' energy: -41.830
flat angles C4'-P-C4' energy: -42.032
flat angles P-C4'-P energy: -25.506
tors. eta vs tors. theta energy: -49.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -450.628348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.628348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.628348 (E_RNA)
where:
Base-Base interactions energy: -308.647
where: short stacking energy: -133.486
Base-Backbone interact. energy: -0.641
local terms energy: -141.339745
where:
bonds (distance) C4'-P energy: -38.576
bonds (distance) P-C4' energy: -23.661
flat angles C4'-P-C4' energy: -36.265
flat angles P-C4'-P energy: -19.723
tors. eta vs tors. theta energy: -23.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -461.590810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.590810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.590810 (E_RNA)
where:
Base-Base interactions energy: -280.571
where: short stacking energy: -146.364
Base-Backbone interact. energy: -0.384
local terms energy: -180.635716
where:
bonds (distance) C4'-P energy: -32.318
bonds (distance) P-C4' energy: -41.267
flat angles C4'-P-C4' energy: -34.782
flat angles P-C4'-P energy: -27.794
tors. eta vs tors. theta energy: -44.475
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: 2
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -382.368697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.368697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.368697 (E_RNA)
where:
Base-Base interactions energy: -217.815
where: short stacking energy: -117.427
Base-Backbone interact. energy: -0.383
local terms energy: -164.171114
where:
bonds (distance) C4'-P energy: -37.587
bonds (distance) P-C4' energy: -35.739
flat angles C4'-P-C4' energy: -37.225
flat angles P-C4'-P energy: -18.528
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: 7, replica: 7
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -336.776015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.776015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.776015 (E_RNA)
where:
Base-Base interactions energy: -187.234
where: short stacking energy: -109.216
Base-Backbone interact. energy: -0.875
local terms energy: -148.667163
where:
bonds (distance) C4'-P energy: -39.935
bonds (distance) P-C4' energy: -30.883
flat angles C4'-P-C4' energy: -27.843
flat angles P-C4'-P energy: -22.295
tors. eta vs tors. theta energy: -27.712
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: 5
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -186.561800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.561800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.561800 (E_RNA)
where:
Base-Base interactions energy: -74.697
where: short stacking energy: -71.040
Base-Backbone interact. energy: 1.483
local terms energy: -113.348177
where:
bonds (distance) C4'-P energy: -29.756
bonds (distance) P-C4' energy: -29.576
flat angles C4'-P-C4' energy: -27.887
flat angles P-C4'-P energy: -17.914
tors. eta vs tors. theta energy: -8.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -191.855503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.855503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.855503 (E_RNA)
where:
Base-Base interactions energy: -64.819
where: short stacking energy: -53.512
Base-Backbone interact. energy: -1.870
local terms energy: -125.166202
where:
bonds (distance) C4'-P energy: -27.102
bonds (distance) P-C4' energy: -40.206
flat angles C4'-P-C4' energy: -36.556
flat angles P-C4'-P energy: -22.933
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: 8
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -167.814290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.814290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.814290 (E_RNA)
where:
Base-Base interactions energy: -46.546
where: short stacking energy: -46.546
Base-Backbone interact. energy: -0.817
local terms energy: -120.451300
where:
bonds (distance) C4'-P energy: -33.509
bonds (distance) P-C4' energy: -40.188
flat angles C4'-P-C4' energy: -25.234
flat angles P-C4'-P energy: -21.254
tors. eta vs tors. theta energy: -0.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -646.657186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.657186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.657186 (E_RNA)
where:
Base-Base interactions energy: -436.490
where: short stacking energy: -189.096
Base-Backbone interact. energy: -2.292
local terms energy: -207.875603
where:
bonds (distance) C4'-P energy: -38.485
bonds (distance) P-C4' energy: -35.172
flat angles C4'-P-C4' energy: -42.800
flat angles P-C4'-P energy: -31.997
tors. eta vs tors. theta energy: -59.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -574.194208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.194208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.194208 (E_RNA)
where:
Base-Base interactions energy: -384.051
where: short stacking energy: -171.373
Base-Backbone interact. energy: -0.926
local terms energy: -189.217501
where:
bonds (distance) C4'-P energy: -39.261
bonds (distance) P-C4' energy: -35.950
flat angles C4'-P-C4' energy: -32.917
flat angles P-C4'-P energy: -28.101
tors. eta vs tors. theta energy: -52.988
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: 10
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -522.774756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.774756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.774756 (E_RNA)
where:
Base-Base interactions energy: -308.806
where: short stacking energy: -175.689
Base-Backbone interact. energy: -0.289
local terms energy: -213.680323
where:
bonds (distance) C4'-P energy: -37.772
bonds (distance) P-C4' energy: -41.664
flat angles C4'-P-C4' energy: -43.886
flat angles P-C4'-P energy: -34.605
tors. eta vs tors. theta energy: -55.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -439.371754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.371754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.371754 (E_RNA)
where:
Base-Base interactions energy: -259.833
where: short stacking energy: -122.537
Base-Backbone interact. energy: -0.599
local terms energy: -178.939173
where:
bonds (distance) C4'-P energy: -39.810
bonds (distance) P-C4' energy: -39.305
flat angles C4'-P-C4' energy: -39.917
flat angles P-C4'-P energy: -31.111
tors. eta vs tors. theta energy: -28.796
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: 6
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -458.585108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.585108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.585108 (E_RNA)
where:
Base-Base interactions energy: -282.288
where: short stacking energy: -126.228
Base-Backbone interact. energy: -0.258
local terms energy: -176.038815
where:
bonds (distance) C4'-P energy: -38.352
bonds (distance) P-C4' energy: -41.006
flat angles C4'-P-C4' energy: -39.701
flat angles P-C4'-P energy: -28.247
tors. eta vs tors. theta energy: -28.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -383.662823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.662823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.662823 (E_RNA)
where:
Base-Base interactions energy: -236.772
where: short stacking energy: -96.282
Base-Backbone interact. energy: -1.494
local terms energy: -145.396697
where:
bonds (distance) C4'-P energy: -38.277
bonds (distance) P-C4' energy: -35.104
flat angles C4'-P-C4' energy: -35.536
flat angles P-C4'-P energy: -12.614
tors. eta vs tors. theta energy: -23.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -326.729351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.729351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.729351 (E_RNA)
where:
Base-Base interactions energy: -175.574
where: short stacking energy: -88.898
Base-Backbone interact. energy: -0.347
local terms energy: -150.808960
where:
bonds (distance) C4'-P energy: -39.406
bonds (distance) P-C4' energy: -42.792
flat angles C4'-P-C4' energy: -35.993
flat angles P-C4'-P energy: -22.600
tors. eta vs tors. theta energy: -10.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -193.011392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.011392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.011392 (E_RNA)
where:
Base-Base interactions energy: -67.001
where: short stacking energy: -58.854
Base-Backbone interact. energy: 1.706
local terms energy: -127.716461
where:
bonds (distance) C4'-P energy: -33.488
bonds (distance) P-C4' energy: -39.015
flat angles C4'-P-C4' energy: -34.397
flat angles P-C4'-P energy: -18.701
tors. eta vs tors. theta energy: -2.115
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: 8
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -202.287706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.287706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.287706 (E_RNA)
where:
Base-Base interactions energy: -86.566
where: short stacking energy: -46.627
Base-Backbone interact. energy: -0.397
local terms energy: -115.324415
where:
bonds (distance) C4'-P energy: -28.665
bonds (distance) P-C4' energy: -33.545
flat angles C4'-P-C4' energy: -32.730
flat angles P-C4'-P energy: -25.427
tors. eta vs tors. theta energy: 5.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -163.009469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.009469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.009469 (E_RNA)
where:
Base-Base interactions energy: -57.448
where: short stacking energy: -38.899
Base-Backbone interact. energy: 1.419
local terms energy: -106.980669
where:
bonds (distance) C4'-P energy: -26.442
bonds (distance) P-C4' energy: -30.163
flat angles C4'-P-C4' energy: -28.711
flat angles P-C4'-P energy: -21.425
tors. eta vs tors. theta energy: -0.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -618.434453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.434453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.434453 (E_RNA)
where:
Base-Base interactions energy: -414.492
where: short stacking energy: -169.960
Base-Backbone interact. energy: -1.882
local terms energy: -202.060858
where:
bonds (distance) C4'-P energy: -36.140
bonds (distance) P-C4' energy: -43.281
flat angles C4'-P-C4' energy: -40.262
flat angles P-C4'-P energy: -24.167
tors. eta vs tors. theta energy: -58.211
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: 4
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -573.124514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.124514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.124514 (E_RNA)
where:
Base-Base interactions energy: -369.317
where: short stacking energy: -161.688
Base-Backbone interact. energy: -1.538
local terms energy: -202.269588
where:
bonds (distance) C4'-P energy: -41.354
bonds (distance) P-C4' energy: -43.486
flat angles C4'-P-C4' energy: -38.230
flat angles P-C4'-P energy: -27.102
tors. eta vs tors. theta energy: -52.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -520.920941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.920941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.920941 (E_RNA)
where:
Base-Base interactions energy: -316.475
where: short stacking energy: -162.024
Base-Backbone interact. energy: -0.186
local terms energy: -204.259460
where:
bonds (distance) C4'-P energy: -43.876
bonds (distance) P-C4' energy: -44.979
flat angles C4'-P-C4' energy: -47.229
flat angles P-C4'-P energy: -23.761
tors. eta vs tors. theta energy: -44.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -505.506513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.506513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.506513 (E_RNA)
where:
Base-Base interactions energy: -317.591
where: short stacking energy: -163.199
Base-Backbone interact. energy: 0.101
local terms energy: -188.016557
where:
bonds (distance) C4'-P energy: -31.930
bonds (distance) P-C4' energy: -37.057
flat angles C4'-P-C4' energy: -39.687
flat angles P-C4'-P energy: -32.898
tors. eta vs tors. theta energy: -46.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -405.323038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.323038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.323038 (E_RNA)
where:
Base-Base interactions energy: -235.796
where: short stacking energy: -112.147
Base-Backbone interact. energy: -0.449
local terms energy: -169.077589
where:
bonds (distance) C4'-P energy: -33.490
bonds (distance) P-C4' energy: -39.599
flat angles C4'-P-C4' energy: -40.638
flat angles P-C4'-P energy: -29.249
tors. eta vs tors. theta energy: -26.101
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: 6, replica: 2
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -388.046765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.046765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.046765 (E_RNA)
where:
Base-Base interactions energy: -218.271
where: short stacking energy: -96.522
Base-Backbone interact. energy: -0.811
local terms energy: -168.965372
where:
bonds (distance) C4'-P energy: -36.508
bonds (distance) P-C4' energy: -38.246
flat angles C4'-P-C4' energy: -42.486
flat angles P-C4'-P energy: -31.832
tors. eta vs tors. theta energy: -19.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -330.144239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.144239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.144239 (E_RNA)
where:
Base-Base interactions energy: -181.226
where: short stacking energy: -101.848
Base-Backbone interact. energy: 2.751
local terms energy: -151.668644
where:
bonds (distance) C4'-P energy: -39.577
bonds (distance) P-C4' energy: -38.609
flat angles C4'-P-C4' energy: -31.985
flat angles P-C4'-P energy: -22.902
tors. eta vs tors. theta energy: -18.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -298.238246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.238246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.238246 (E_RNA)
where:
Base-Base interactions energy: -157.716
where: short stacking energy: -78.531
Base-Backbone interact. energy: -1.891
local terms energy: -138.631269
where:
bonds (distance) C4'-P energy: -41.027
bonds (distance) P-C4' energy: -28.929
flat angles C4'-P-C4' energy: -36.623
flat angles P-C4'-P energy: -20.639
tors. eta vs tors. theta energy: -11.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -195.760670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.760670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.760670 (E_RNA)
where:
Base-Base interactions energy: -69.767
where: short stacking energy: -59.932
Base-Backbone interact. energy: -0.069
local terms energy: -125.924823
where:
bonds (distance) C4'-P energy: -25.083
bonds (distance) P-C4' energy: -44.753
flat angles C4'-P-C4' energy: -36.049
flat angles P-C4'-P energy: -16.373
tors. eta vs tors. theta energy: -3.667
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: 3
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -201.387929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.387929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.387929 (E_RNA)
where:
Base-Base interactions energy: -96.148
where: short stacking energy: -33.771
Base-Backbone interact. energy: -2.823
local terms energy: -102.417246
where:
bonds (distance) C4'-P energy: -37.869
bonds (distance) P-C4' energy: -28.059
flat angles C4'-P-C4' energy: -28.935
flat angles P-C4'-P energy: -7.854
tors. eta vs tors. theta energy: 0.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -636.998339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.998339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.998339 (E_RNA)
where:
Base-Base interactions energy: -430.058
where: short stacking energy: -156.700
Base-Backbone interact. energy: -1.455
local terms energy: -205.484742
where:
bonds (distance) C4'-P energy: -41.283
bonds (distance) P-C4' energy: -40.852
flat angles C4'-P-C4' energy: -47.080
flat angles P-C4'-P energy: -24.627
tors. eta vs tors. theta energy: -51.642
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: 2, replica: 4
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -586.874686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.874686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.874686 (E_RNA)
where:
Base-Base interactions energy: -376.280
where: short stacking energy: -157.952
Base-Backbone interact. energy: -2.017
local terms energy: -208.577704
where:
bonds (distance) C4'-P energy: -41.556
bonds (distance) P-C4' energy: -44.808
flat angles C4'-P-C4' energy: -40.489
flat angles P-C4'-P energy: -35.076
tors. eta vs tors. theta energy: -46.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -525.061064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.061064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.061064 (E_RNA)
where:
Base-Base interactions energy: -329.041
where: short stacking energy: -177.185
Base-Backbone interact. energy: 0.732
local terms energy: -196.751750
where:
bonds (distance) C4'-P energy: -34.246
bonds (distance) P-C4' energy: -36.958
flat angles C4'-P-C4' energy: -44.416
flat angles P-C4'-P energy: -27.837
tors. eta vs tors. theta energy: -53.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -530.743647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.743647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.743647 (E_RNA)
where:
Base-Base interactions energy: -326.168
where: short stacking energy: -156.189
Base-Backbone interact. energy: -0.259
local terms energy: -204.316869
where:
bonds (distance) C4'-P energy: -40.000
bonds (distance) P-C4' energy: -43.898
flat angles C4'-P-C4' energy: -40.348
flat angles P-C4'-P energy: -34.333
tors. eta vs tors. theta energy: -45.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -391.536782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.536782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.536782 (E_RNA)
where:
Base-Base interactions energy: -237.653
where: short stacking energy: -102.170
Base-Backbone interact. energy: -1.154
local terms energy: -152.729191
where:
bonds (distance) C4'-P energy: -34.459
bonds (distance) P-C4' energy: -40.092
flat angles C4'-P-C4' energy: -30.213
flat angles P-C4'-P energy: -23.643
tors. eta vs tors. theta energy: -24.323
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: 50
Temperature: 1.150000
Total energy: -378.756175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.756175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.756175 (E_RNA)
where:
Base-Base interactions energy: -220.544
where: short stacking energy: -113.409
Base-Backbone interact. energy: -0.105
local terms energy: -158.106985
where:
bonds (distance) C4'-P energy: -38.416
bonds (distance) P-C4' energy: -30.532
flat angles C4'-P-C4' energy: -44.880
flat angles P-C4'-P energy: -19.301
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: 7, replica: 8
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -350.580720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.580720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.580720 (E_RNA)
where:
Base-Base interactions energy: -204.999
where: short stacking energy: -95.537
Base-Backbone interact. energy: -1.571
local terms energy: -144.009973
where:
bonds (distance) C4'-P energy: -32.325
bonds (distance) P-C4' energy: -34.767
flat angles C4'-P-C4' energy: -32.780
flat angles P-C4'-P energy: -21.323
tors. eta vs tors. theta energy: -22.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -305.284601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.284601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.284601 (E_RNA)
where:
Base-Base interactions energy: -179.728
where: short stacking energy: -84.533
Base-Backbone interact. energy: -0.665
local terms energy: -124.890937
where:
bonds (distance) C4'-P energy: -31.708
bonds (distance) P-C4' energy: -32.112
flat angles C4'-P-C4' energy: -27.418
flat angles P-C4'-P energy: -19.327
tors. eta vs tors. theta energy: -14.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -193.030650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.030650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.030650 (E_RNA)
where:
Base-Base interactions energy: -85.402
where: short stacking energy: -67.750
Base-Backbone interact. energy: -0.411
local terms energy: -107.217219
where:
bonds (distance) C4'-P energy: -24.188
bonds (distance) P-C4' energy: -33.744
flat angles C4'-P-C4' energy: -37.907
flat angles P-C4'-P energy: -8.981
tors. eta vs tors. theta energy: -2.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -172.029542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.029542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.029542 (E_RNA)
where:
Base-Base interactions energy: -62.783
where: short stacking energy: -44.544
Base-Backbone interact. energy: -0.167
local terms energy: -109.080051
where:
bonds (distance) C4'-P energy: -34.221
bonds (distance) P-C4' energy: -33.444
flat angles C4'-P-C4' energy: -29.084
flat angles P-C4'-P energy: -11.861
tors. eta vs tors. theta energy: -0.470
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: 9
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -630.751162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.751162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.751162 (E_RNA)
where:
Base-Base interactions energy: -429.817
where: short stacking energy: -151.651
Base-Backbone interact. energy: -2.031
local terms energy: -198.903776
where:
bonds (distance) C4'-P energy: -39.506
bonds (distance) P-C4' energy: -49.679
flat angles C4'-P-C4' energy: -39.165
flat angles P-C4'-P energy: -21.046
tors. eta vs tors. theta energy: -49.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -617.720583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.720583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.720583 (E_RNA)
where:
Base-Base interactions energy: -415.380
where: short stacking energy: -179.190
Base-Backbone interact. energy: -1.127
local terms energy: -201.213905
where:
bonds (distance) C4'-P energy: -42.273
bonds (distance) P-C4' energy: -35.590
flat angles C4'-P-C4' energy: -43.204
flat angles P-C4'-P energy: -24.684
tors. eta vs tors. theta energy: -55.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -552.223259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.223259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.223259 (E_RNA)
where:
Base-Base interactions energy: -342.021
where: short stacking energy: -194.412
Base-Backbone interact. energy: -0.185
local terms energy: -210.017030
where:
bonds (distance) C4'-P energy: -42.862
bonds (distance) P-C4' energy: -37.978
flat angles C4'-P-C4' energy: -45.765
flat angles P-C4'-P energy: -26.672
tors. eta vs tors. theta energy: -56.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -496.983153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.983153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.983153 (E_RNA)
where:
Base-Base interactions energy: -301.019
where: short stacking energy: -159.262
Base-Backbone interact. energy: 1.001
local terms energy: -196.964970
where:
bonds (distance) C4'-P energy: -34.328
bonds (distance) P-C4' energy: -44.866
flat angles C4'-P-C4' energy: -38.048
flat angles P-C4'-P energy: -31.805
tors. eta vs tors. theta energy: -47.918
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: 2
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -415.756952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.756952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.756952 (E_RNA)
where:
Base-Base interactions energy: -254.140
where: short stacking energy: -112.285
Base-Backbone interact. energy: 0.831
local terms energy: -162.448058
where:
bonds (distance) C4'-P energy: -36.005
bonds (distance) P-C4' energy: -38.529
flat angles C4'-P-C4' energy: -35.708
flat angles P-C4'-P energy: -23.770
tors. eta vs tors. theta energy: -28.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -368.144976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.144976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.144976 (E_RNA)
where:
Base-Base interactions energy: -205.397
where: short stacking energy: -111.846
Base-Backbone interact. energy: -1.057
local terms energy: -161.690918
where:
bonds (distance) C4'-P energy: -38.712
bonds (distance) P-C4' energy: -39.302
flat angles C4'-P-C4' energy: -35.295
flat angles P-C4'-P energy: -22.529
tors. eta vs tors. theta energy: -25.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -336.192230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.192230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.192230 (E_RNA)
where:
Base-Base interactions energy: -196.860
where: short stacking energy: -95.386
Base-Backbone interact. energy: -0.921
local terms energy: -138.411239
where:
bonds (distance) C4'-P energy: -40.385
bonds (distance) P-C4' energy: -39.424
flat angles C4'-P-C4' energy: -36.261
flat angles P-C4'-P energy: -10.878
tors. eta vs tors. theta energy: -11.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -326.530874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.530874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.530874 (E_RNA)
where:
Base-Base interactions energy: -191.028
where: short stacking energy: -89.137
Base-Backbone interact. energy: 1.020
local terms energy: -136.522059
where:
bonds (distance) C4'-P energy: -32.572
bonds (distance) P-C4' energy: -39.154
flat angles C4'-P-C4' energy: -35.388
flat angles P-C4'-P energy: -21.419
tors. eta vs tors. theta energy: -7.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -210.195980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.195980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.195980 (E_RNA)
where:
Base-Base interactions energy: -77.466
where: short stacking energy: -75.306
Base-Backbone interact. energy: 0.138
local terms energy: -132.868124
where:
bonds (distance) C4'-P energy: -33.927
bonds (distance) P-C4' energy: -28.949
flat angles C4'-P-C4' energy: -42.104
flat angles P-C4'-P energy: -20.816
tors. eta vs tors. theta energy: -7.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -181.602343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.602343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.602343 (E_RNA)
where:
Base-Base interactions energy: -62.613
where: short stacking energy: -46.693
Base-Backbone interact. energy: 0.892
local terms energy: -119.881000
where:
bonds (distance) C4'-P energy: -31.179
bonds (distance) P-C4' energy: -30.929
flat angles C4'-P-C4' energy: -38.409
flat angles P-C4'-P energy: -22.642
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: 1, replica: 9
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -619.413883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.413883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.413883 (E_RNA)
where:
Base-Base interactions energy: -416.978
where: short stacking energy: -164.624
Base-Backbone interact. energy: -1.185
local terms energy: -201.250789
where:
bonds (distance) C4'-P energy: -40.601
bonds (distance) P-C4' energy: -41.036
flat angles C4'-P-C4' energy: -39.598
flat angles P-C4'-P energy: -29.709
tors. eta vs tors. theta energy: -50.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -570.689072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.689072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.689072 (E_RNA)
where:
Base-Base interactions energy: -376.342
where: short stacking energy: -164.719
Base-Backbone interact. energy: -3.054
local terms energy: -191.293572
where:
bonds (distance) C4'-P energy: -35.772
bonds (distance) P-C4' energy: -35.661
flat angles C4'-P-C4' energy: -38.572
flat angles P-C4'-P energy: -32.977
tors. eta vs tors. theta energy: -48.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -511.667906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.667906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.667906 (E_RNA)
where:
Base-Base interactions energy: -322.194
where: short stacking energy: -174.430
Base-Backbone interact. energy: -0.676
local terms energy: -188.797894
where:
bonds (distance) C4'-P energy: -35.445
bonds (distance) P-C4' energy: -29.763
flat angles C4'-P-C4' energy: -47.555
flat angles P-C4'-P energy: -24.152
tors. eta vs tors. theta energy: -51.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -503.746815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.746815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.746815 (E_RNA)
where:
Base-Base interactions energy: -324.470
where: short stacking energy: -165.537
Base-Backbone interact. energy: 0.723
local terms energy: -179.999711
where:
bonds (distance) C4'-P energy: -24.800
bonds (distance) P-C4' energy: -47.532
flat angles C4'-P-C4' energy: -32.819
flat angles P-C4'-P energy: -28.868
tors. eta vs tors. theta energy: -45.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -437.823463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.823463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.823463 (E_RNA)
where:
Base-Base interactions energy: -268.161
where: short stacking energy: -125.524
Base-Backbone interact. energy: -0.522
local terms energy: -169.139982
where:
bonds (distance) C4'-P energy: -41.485
bonds (distance) P-C4' energy: -31.641
flat angles C4'-P-C4' energy: -31.342
flat angles P-C4'-P energy: -27.261
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: 1
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -340.219724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.219724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.219724 (E_RNA)
where:
Base-Base interactions energy: -209.238
where: short stacking energy: -114.736
Base-Backbone interact. energy: -1.678
local terms energy: -129.304434
where:
bonds (distance) C4'-P energy: -36.825
bonds (distance) P-C4' energy: -32.168
flat angles C4'-P-C4' energy: -27.276
flat angles P-C4'-P energy: -13.207
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: 7, replica: 8
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -356.251236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.251236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.251236 (E_RNA)
where:
Base-Base interactions energy: -195.011
where: short stacking energy: -81.818
Base-Backbone interact. energy: -0.802
local terms energy: -160.437975
where:
bonds (distance) C4'-P energy: -41.646
bonds (distance) P-C4' energy: -39.615
flat angles C4'-P-C4' energy: -31.462
flat angles P-C4'-P energy: -28.046
tors. eta vs tors. theta energy: -19.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -307.873054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.873054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.873054 (E_RNA)
where:
Base-Base interactions energy: -151.857
where: short stacking energy: -77.233
Base-Backbone interact. energy: 0.073
local terms energy: -156.088985
where:
bonds (distance) C4'-P energy: -42.290
bonds (distance) P-C4' energy: -36.094
flat angles C4'-P-C4' energy: -28.881
flat angles P-C4'-P energy: -27.141
tors. eta vs tors. theta energy: -21.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -183.957662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.957662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.957662 (E_RNA)
where:
Base-Base interactions energy: -51.166
where: short stacking energy: -45.756
Base-Backbone interact. energy: 1.014
local terms energy: -133.805250
where:
bonds (distance) C4'-P energy: -41.779
bonds (distance) P-C4' energy: -39.991
flat angles C4'-P-C4' energy: -25.538
flat angles P-C4'-P energy: -24.746
tors. eta vs tors. theta energy: -1.751
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: 52
Temperature: 1.350000
Total energy: -160.086431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.086431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.086431 (E_RNA)
where:
Base-Base interactions energy: -47.843
where: short stacking energy: -41.602
Base-Backbone interact. energy: 2.026
local terms energy: -114.269963
where:
bonds (distance) C4'-P energy: -26.413
bonds (distance) P-C4' energy: -37.305
flat angles C4'-P-C4' energy: -39.029
flat angles P-C4'-P energy: -16.884
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: 1, replica: 9
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -627.738309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.738309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.738309 (E_RNA)
where:
Base-Base interactions energy: -435.531
where: short stacking energy: -180.334
Base-Backbone interact. energy: -2.110
local terms energy: -190.097360
where:
bonds (distance) C4'-P energy: -35.452
bonds (distance) P-C4' energy: -31.090
flat angles C4'-P-C4' energy: -43.622
flat angles P-C4'-P energy: -28.309
tors. eta vs tors. theta energy: -51.625
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: 4
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -587.590785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.590785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.590785 (E_RNA)
where:
Base-Base interactions energy: -372.559
where: short stacking energy: -166.916
Base-Backbone interact. energy: -2.319
local terms energy: -212.712799
where:
bonds (distance) C4'-P energy: -40.028
bonds (distance) P-C4' energy: -40.732
flat angles C4'-P-C4' energy: -47.412
flat angles P-C4'-P energy: -29.411
tors. eta vs tors. theta energy: -55.129
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: 3, replica: 6
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -520.811646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.811646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.811646 (E_RNA)
where:
Base-Base interactions energy: -333.296
where: short stacking energy: -156.185
Base-Backbone interact. energy: -0.727
local terms energy: -186.788718
where:
bonds (distance) C4'-P energy: -36.247
bonds (distance) P-C4' energy: -39.376
flat angles C4'-P-C4' energy: -41.228
flat angles P-C4'-P energy: -29.977
tors. eta vs tors. theta energy: -39.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -508.257929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.257929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.257929 (E_RNA)
where:
Base-Base interactions energy: -322.571
where: short stacking energy: -167.736
Base-Backbone interact. energy: -0.667
local terms energy: -185.020461
where:
bonds (distance) C4'-P energy: -39.196
bonds (distance) P-C4' energy: -35.095
flat angles C4'-P-C4' energy: -37.725
flat angles P-C4'-P energy: -21.424
tors. eta vs tors. theta energy: -51.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -430.760439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.760439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.760439 (E_RNA)
where:
Base-Base interactions energy: -252.721
where: short stacking energy: -124.922
Base-Backbone interact. energy: -0.264
local terms energy: -177.775629
where:
bonds (distance) C4'-P energy: -38.186
bonds (distance) P-C4' energy: -36.102
flat angles C4'-P-C4' energy: -38.290
flat angles P-C4'-P energy: -25.767
tors. eta vs tors. theta energy: -39.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -366.836715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.836715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.836715 (E_RNA)
where:
Base-Base interactions energy: -195.463
where: short stacking energy: -106.698
Base-Backbone interact. energy: -0.423
local terms energy: -170.951064
where:
bonds (distance) C4'-P energy: -41.760
bonds (distance) P-C4' energy: -42.574
flat angles C4'-P-C4' energy: -33.270
flat angles P-C4'-P energy: -28.448
tors. eta vs tors. theta energy: -24.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -395.918746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.918746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.918746 (E_RNA)
where:
Base-Base interactions energy: -243.803
where: short stacking energy: -105.055
Base-Backbone interact. energy: -0.020
local terms energy: -152.095951
where:
bonds (distance) C4'-P energy: -33.249
bonds (distance) P-C4' energy: -34.132
flat angles C4'-P-C4' energy: -30.633
flat angles P-C4'-P energy: -29.977
tors. eta vs tors. theta energy: -24.105
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: 8, replica: 7
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -290.917433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.917433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.917433 (E_RNA)
where:
Base-Base interactions energy: -168.592
where: short stacking energy: -68.707
Base-Backbone interact. energy: -0.294
local terms energy: -122.031440
where:
bonds (distance) C4'-P energy: -36.703
bonds (distance) P-C4' energy: -38.906
flat angles C4'-P-C4' energy: -29.469
flat angles P-C4'-P energy: -12.738
tors. eta vs tors. theta energy: -4.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -189.086557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.086557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.086557 (E_RNA)
where:
Base-Base interactions energy: -81.035
where: short stacking energy: -51.146
Base-Backbone interact. energy: -1.409
local terms energy: -106.642170
where:
bonds (distance) C4'-P energy: -31.724
bonds (distance) P-C4' energy: -31.468
flat angles C4'-P-C4' energy: -28.096
flat angles P-C4'-P energy: -19.303
tors. eta vs tors. theta energy: 3.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -165.064926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.064926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.064926 (E_RNA)
where:
Base-Base interactions energy: -57.262
where: short stacking energy: -41.787
Base-Backbone interact. energy: 1.363
local terms energy: -109.166430
where:
bonds (distance) C4'-P energy: -32.915
bonds (distance) P-C4' energy: -39.084
flat angles C4'-P-C4' energy: -32.992
flat angles P-C4'-P energy: -9.444
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: 1, replica: 9
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -624.788576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.788576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.788576 (E_RNA)
where:
Base-Base interactions energy: -429.355
where: short stacking energy: -162.287
Base-Backbone interact. energy: -1.868
local terms energy: -193.565419
where:
bonds (distance) C4'-P energy: -37.129
bonds (distance) P-C4' energy: -34.608
flat angles C4'-P-C4' energy: -42.178
flat angles P-C4'-P energy: -29.876
tors. eta vs tors. theta energy: -49.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -561.954107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.954107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.954107 (E_RNA)
where:
Base-Base interactions energy: -366.494
where: short stacking energy: -173.238
Base-Backbone interact. energy: -1.787
local terms energy: -193.673835
where:
bonds (distance) C4'-P energy: -37.405
bonds (distance) P-C4' energy: -33.355
flat angles C4'-P-C4' energy: -45.189
flat angles P-C4'-P energy: -33.160
tors. eta vs tors. theta energy: -44.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -516.173342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.173342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.173342 (E_RNA)
where:
Base-Base interactions energy: -322.500
where: short stacking energy: -171.832
Base-Backbone interact. energy: -0.188
local terms energy: -193.485159
where:
bonds (distance) C4'-P energy: -33.331
bonds (distance) P-C4' energy: -41.636
flat angles C4'-P-C4' energy: -38.734
flat angles P-C4'-P energy: -29.329
tors. eta vs tors. theta energy: -50.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -504.936846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.936846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.936846 (E_RNA)
where:
Base-Base interactions energy: -321.167
where: short stacking energy: -146.405
Base-Backbone interact. energy: 1.114
local terms energy: -184.883929
where:
bonds (distance) C4'-P energy: -40.872
bonds (distance) P-C4' energy: -37.549
flat angles C4'-P-C4' energy: -33.516
flat angles P-C4'-P energy: -28.434
tors. eta vs tors. theta energy: -44.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -449.865952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.865952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.865952 (E_RNA)
where:
Base-Base interactions energy: -265.681
where: short stacking energy: -136.188
Base-Backbone interact. energy: -0.298
local terms energy: -183.886548
where:
bonds (distance) C4'-P energy: -31.244
bonds (distance) P-C4' energy: -39.514
flat angles C4'-P-C4' energy: -40.414
flat angles P-C4'-P energy: -28.180
tors. eta vs tors. theta energy: -44.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -344.262363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.262363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.262363 (E_RNA)
where:
Base-Base interactions energy: -185.761
where: short stacking energy: -99.014
Base-Backbone interact. energy: -0.610
local terms energy: -157.892094
where:
bonds (distance) C4'-P energy: -39.739
bonds (distance) P-C4' energy: -35.121
flat angles C4'-P-C4' energy: -36.965
flat angles P-C4'-P energy: -15.304
tors. eta vs tors. theta energy: -30.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -381.287201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.287201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.287201 (E_RNA)
where:
Base-Base interactions energy: -231.033
where: short stacking energy: -97.024
Base-Backbone interact. energy: -0.362
local terms energy: -149.892355
where:
bonds (distance) C4'-P energy: -31.488
bonds (distance) P-C4' energy: -39.633
flat angles C4'-P-C4' energy: -34.390
flat angles P-C4'-P energy: -23.267
tors. eta vs tors. theta energy: -21.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -261.994142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.994142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.994142 (E_RNA)
where:
Base-Base interactions energy: -124.851
where: short stacking energy: -73.673
Base-Backbone interact. energy: -0.365
local terms energy: -136.778118
where:
bonds (distance) C4'-P energy: -31.933
bonds (distance) P-C4' energy: -36.554
flat angles C4'-P-C4' energy: -29.548
flat angles P-C4'-P energy: -23.681
tors. eta vs tors. theta energy: -15.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -205.400108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.400108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.400108 (E_RNA)
where:
Base-Base interactions energy: -82.826
where: short stacking energy: -48.780
Base-Backbone interact. energy: -0.290
local terms energy: -122.284043
where:
bonds (distance) C4'-P energy: -32.674
bonds (distance) P-C4' energy: -35.383
flat angles C4'-P-C4' energy: -36.942
flat angles P-C4'-P energy: -16.067
tors. eta vs tors. theta energy: -1.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -173.950825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.950825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.950825 (E_RNA)
where:
Base-Base interactions energy: -60.549
where: short stacking energy: -45.282
Base-Backbone interact. energy: -0.285
local terms energy: -113.116568
where:
bonds (distance) C4'-P energy: -35.287
bonds (distance) P-C4' energy: -40.100
flat angles C4'-P-C4' energy: -30.290
flat angles P-C4'-P energy: -13.589
tors. eta vs tors. theta energy: 6.150
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: 1, replica: 9
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -608.292928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.292928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.292928 (E_RNA)
where:
Base-Base interactions energy: -395.301
where: short stacking energy: -172.456
Base-Backbone interact. energy: -1.820
local terms energy: -211.171930
where:
bonds (distance) C4'-P energy: -40.077
bonds (distance) P-C4' energy: -40.841
flat angles C4'-P-C4' energy: -43.699
flat angles P-C4'-P energy: -33.430
tors. eta vs tors. theta energy: -53.126
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: 4
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -559.761124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.761124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.761124 (E_RNA)
where:
Base-Base interactions energy: -359.906
where: short stacking energy: -167.520
Base-Backbone interact. energy: -1.130
local terms energy: -198.725036
where:
bonds (distance) C4'-P energy: -37.468
bonds (distance) P-C4' energy: -43.180
flat angles C4'-P-C4' energy: -42.073
flat angles P-C4'-P energy: -31.811
tors. eta vs tors. theta energy: -44.193
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: 10
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -518.143145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.143145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.143145 (E_RNA)
where:
Base-Base interactions energy: -330.429
where: short stacking energy: -179.170
Base-Backbone interact. energy: -0.994
local terms energy: -186.719762
where:
bonds (distance) C4'-P energy: -36.424
bonds (distance) P-C4' energy: -28.289
flat angles C4'-P-C4' energy: -43.393
flat angles P-C4'-P energy: -27.073
tors. eta vs tors. theta energy: -51.541
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: 6
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -532.149952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.149952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.149952 (E_RNA)
where:
Base-Base interactions energy: -324.397
where: short stacking energy: -173.462
Base-Backbone interact. energy: -0.939
local terms energy: -206.813525
where:
bonds (distance) C4'-P energy: -37.950
bonds (distance) P-C4' energy: -44.495
flat angles C4'-P-C4' energy: -38.777
flat angles P-C4'-P energy: -29.509
tors. eta vs tors. theta energy: -56.082
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: 2
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -492.551686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.551686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.551686 (E_RNA)
where:
Base-Base interactions energy: -309.412
where: short stacking energy: -157.997
Base-Backbone interact. energy: -0.805
local terms energy: -182.334806
where:
bonds (distance) C4'-P energy: -34.472
bonds (distance) P-C4' energy: -44.961
flat angles C4'-P-C4' energy: -36.372
flat angles P-C4'-P energy: -18.934
tors. eta vs tors. theta energy: -47.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -417.750214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.750214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.750214 (E_RNA)
where:
Base-Base interactions energy: -268.468
where: short stacking energy: -127.910
Base-Backbone interact. energy: 1.215
local terms energy: -150.496380
where:
bonds (distance) C4'-P energy: -37.749
bonds (distance) P-C4' energy: -30.753
flat angles C4'-P-C4' energy: -26.120
flat angles P-C4'-P energy: -18.883
tors. eta vs tors. theta energy: -36.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -309.572408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.572408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.572408 (E_RNA)
where:
Base-Base interactions energy: -167.249
where: short stacking energy: -87.990
Base-Backbone interact. energy: -0.226
local terms energy: -142.097253
where:
bonds (distance) C4'-P energy: -36.594
bonds (distance) P-C4' energy: -41.196
flat angles C4'-P-C4' energy: -36.393
flat angles P-C4'-P energy: -12.316
tors. eta vs tors. theta energy: -15.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -272.221707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.221707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.221707 (E_RNA)
where:
Base-Base interactions energy: -147.078
where: short stacking energy: -79.925
Base-Backbone interact. energy: -0.414
local terms energy: -124.729853
where:
bonds (distance) C4'-P energy: -33.830
bonds (distance) P-C4' energy: -39.203
flat angles C4'-P-C4' energy: -27.867
flat angles P-C4'-P energy: -19.685
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: 9, replica: 3
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -196.377796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.377796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.377796 (E_RNA)
where:
Base-Base interactions energy: -68.016
where: short stacking energy: -42.482
Base-Backbone interact. energy: -1.030
local terms energy: -127.332036
where:
bonds (distance) C4'-P energy: -41.816
bonds (distance) P-C4' energy: -36.907
flat angles C4'-P-C4' energy: -31.824
flat angles P-C4'-P energy: -20.094
tors. eta vs tors. theta energy: 3.309
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: 5
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -174.669938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.669938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.669938 (E_RNA)
where:
Base-Base interactions energy: -60.510
where: short stacking energy: -47.153
Base-Backbone interact. energy: 0.828
local terms energy: -114.988767
where:
bonds (distance) C4'-P energy: -25.233
bonds (distance) P-C4' energy: -42.691
flat angles C4'-P-C4' energy: -24.684
flat angles P-C4'-P energy: -25.640
tors. eta vs tors. theta energy: 3.259
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: 9
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -610.264468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.264468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.264468 (E_RNA)
where:
Base-Base interactions energy: -399.043
where: short stacking energy: -167.356
Base-Backbone interact. energy: -0.903
local terms energy: -210.318609
where:
bonds (distance) C4'-P energy: -43.209
bonds (distance) P-C4' energy: -39.643
flat angles C4'-P-C4' energy: -42.058
flat angles P-C4'-P energy: -30.905
tors. eta vs tors. theta energy: -54.503
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: 4
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -545.814849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.814849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.814849 (E_RNA)
where:
Base-Base interactions energy: -344.109
where: short stacking energy: -161.527
Base-Backbone interact. energy: -1.045
local terms energy: -200.660601
where:
bonds (distance) C4'-P energy: -38.196
bonds (distance) P-C4' energy: -37.873
flat angles C4'-P-C4' energy: -43.429
flat angles P-C4'-P energy: -31.970
tors. eta vs tors. theta energy: -49.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -530.820192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.820192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.820192 (E_RNA)
where:
Base-Base interactions energy: -342.689
where: short stacking energy: -169.703
Base-Backbone interact. energy: 0.221
local terms energy: -188.352456
where:
bonds (distance) C4'-P energy: -39.440
bonds (distance) P-C4' energy: -37.520
flat angles C4'-P-C4' energy: -42.419
flat angles P-C4'-P energy: -18.730
tors. eta vs tors. theta energy: -50.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -520.587277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.587277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.587277 (E_RNA)
where:
Base-Base interactions energy: -324.293
where: short stacking energy: -166.656
Base-Backbone interact. energy: -0.301
local terms energy: -195.993037
where:
bonds (distance) C4'-P energy: -38.717
bonds (distance) P-C4' energy: -38.867
flat angles C4'-P-C4' energy: -43.929
flat angles P-C4'-P energy: -27.760
tors. eta vs tors. theta energy: -46.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -506.701339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.701339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.701339 (E_RNA)
where:
Base-Base interactions energy: -317.114
where: short stacking energy: -166.294
Base-Backbone interact. energy: -0.264
local terms energy: -189.323850
where:
bonds (distance) C4'-P energy: -36.975
bonds (distance) P-C4' energy: -33.831
flat angles C4'-P-C4' energy: -40.179
flat angles P-C4'-P energy: -18.792
tors. eta vs tors. theta energy: -59.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -416.056827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.056827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.056827 (E_RNA)
where:
Base-Base interactions energy: -268.104
where: short stacking energy: -123.482
Base-Backbone interact. energy: -0.677
local terms energy: -147.275044
where:
bonds (distance) C4'-P energy: -32.127
bonds (distance) P-C4' energy: -38.452
flat angles C4'-P-C4' energy: -33.355
flat angles P-C4'-P energy: -24.064
tors. eta vs tors. theta energy: -19.276
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: 7
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -302.392107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.392107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.392107 (E_RNA)
where:
Base-Base interactions energy: -164.899
where: short stacking energy: -92.171
Base-Backbone interact. energy: 3.641
local terms energy: -141.133772
where:
bonds (distance) C4'-P energy: -39.271
bonds (distance) P-C4' energy: -33.259
flat angles C4'-P-C4' energy: -33.551
flat angles P-C4'-P energy: -20.789
tors. eta vs tors. theta energy: -14.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -276.749773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.749773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.749773 (E_RNA)
where:
Base-Base interactions energy: -140.779
where: short stacking energy: -79.828
Base-Backbone interact. energy: -0.357
local terms energy: -135.613584
where:
bonds (distance) C4'-P energy: -30.154
bonds (distance) P-C4' energy: -38.872
flat angles C4'-P-C4' energy: -31.993
flat angles P-C4'-P energy: -16.714
tors. eta vs tors. theta energy: -17.881
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: 5
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -198.640409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.640409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.640409 (E_RNA)
where:
Base-Base interactions energy: -75.491
where: short stacking energy: -45.052
Base-Backbone interact. energy: -1.276
local terms energy: -121.872954
where:
bonds (distance) C4'-P energy: -38.014
bonds (distance) P-C4' energy: -39.424
flat angles C4'-P-C4' energy: -24.408
flat angles P-C4'-P energy: -21.883
tors. eta vs tors. theta energy: 1.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -161.790821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.790821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.790821 (E_RNA)
where:
Base-Base interactions energy: -53.498
where: short stacking energy: -52.058
Base-Backbone interact. energy: -0.679
local terms energy: -107.613549
where:
bonds (distance) C4'-P energy: -32.541
bonds (distance) P-C4' energy: -32.848
flat angles C4'-P-C4' energy: -28.933
flat angles P-C4'-P energy: -13.238
tors. eta vs tors. theta energy: -0.054
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: 9
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -621.568635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.568635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.568635 (E_RNA)
where:
Base-Base interactions energy: -410.892
where: short stacking energy: -180.500
Base-Backbone interact. energy: -1.442
local terms energy: -209.234359
where:
bonds (distance) C4'-P energy: -38.654
bonds (distance) P-C4' energy: -39.877
flat angles C4'-P-C4' energy: -43.152
flat angles P-C4'-P energy: -32.978
tors. eta vs tors. theta energy: -54.572
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: 4
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -552.308210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.308210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.308210 (E_RNA)
where:
Base-Base interactions energy: -345.474
where: short stacking energy: -163.225
Base-Backbone interact. energy: 2.218
local terms energy: -209.052871
where:
bonds (distance) C4'-P energy: -36.914
bonds (distance) P-C4' energy: -44.360
flat angles C4'-P-C4' energy: -49.412
flat angles P-C4'-P energy: -31.794
tors. eta vs tors. theta energy: -46.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -517.298331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.298331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.298331 (E_RNA)
where:
Base-Base interactions energy: -318.618
where: short stacking energy: -164.874
Base-Backbone interact. energy: -0.206
local terms energy: -198.473945
where:
bonds (distance) C4'-P energy: -36.236
bonds (distance) P-C4' energy: -45.472
flat angles C4'-P-C4' energy: -40.185
flat angles P-C4'-P energy: -26.118
tors. eta vs tors. theta energy: -50.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -539.855572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.855572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.855572 (E_RNA)
where:
Base-Base interactions energy: -335.848
where: short stacking energy: -183.045
Base-Backbone interact. energy: -0.150
local terms energy: -203.858491
where:
bonds (distance) C4'-P energy: -36.631
bonds (distance) P-C4' energy: -36.250
flat angles C4'-P-C4' energy: -44.177
flat angles P-C4'-P energy: -25.188
tors. eta vs tors. theta energy: -61.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -493.423821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.423821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.423821 (E_RNA)
where:
Base-Base interactions energy: -305.065
where: short stacking energy: -149.636
Base-Backbone interact. energy: -0.373
local terms energy: -187.985685
where:
bonds (distance) C4'-P energy: -35.771
bonds (distance) P-C4' energy: -41.974
flat angles C4'-P-C4' energy: -44.522
flat angles P-C4'-P energy: -21.946
tors. eta vs tors. theta energy: -43.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -434.024546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.024546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.024546 (E_RNA)
where:
Base-Base interactions energy: -268.062
where: short stacking energy: -120.063
Base-Backbone interact. energy: -0.595
local terms energy: -165.367463
where:
bonds (distance) C4'-P energy: -39.619
bonds (distance) P-C4' energy: -38.609
flat angles C4'-P-C4' energy: -38.240
flat angles P-C4'-P energy: -19.805
tors. eta vs tors. theta energy: -29.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -306.193442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.193442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.193442 (E_RNA)
where:
Base-Base interactions energy: -159.536
where: short stacking energy: -81.714
Base-Backbone interact. energy: -0.284
local terms energy: -146.372909
where:
bonds (distance) C4'-P energy: -34.972
bonds (distance) P-C4' energy: -38.082
flat angles C4'-P-C4' energy: -25.421
flat angles P-C4'-P energy: -24.062
tors. eta vs tors. theta energy: -23.837
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: 57
Temperature: 1.250000
Total energy: -292.155346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.155346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.155346 (E_RNA)
where:
Base-Base interactions energy: -149.445
where: short stacking energy: -89.168
Base-Backbone interact. energy: -0.709
local terms energy: -142.001213
where:
bonds (distance) C4'-P energy: -25.742
bonds (distance) P-C4' energy: -43.081
flat angles C4'-P-C4' energy: -38.810
flat angles P-C4'-P energy: -17.476
tors. eta vs tors. theta energy: -16.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -183.496427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.496427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.496427 (E_RNA)
where:
Base-Base interactions energy: -58.114
where: short stacking energy: -58.674
Base-Backbone interact. energy: 0.061
local terms energy: -125.443876
where:
bonds (distance) C4'-P energy: -30.802
bonds (distance) P-C4' energy: -42.964
flat angles C4'-P-C4' energy: -27.751
flat angles P-C4'-P energy: -22.745
tors. eta vs tors. theta energy: -1.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -164.818716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.818716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.818716 (E_RNA)
where:
Base-Base interactions energy: -49.137
where: short stacking energy: -33.322
Base-Backbone interact. energy: -0.597
local terms energy: -115.085271
where:
bonds (distance) C4'-P energy: -39.264
bonds (distance) P-C4' energy: -37.735
flat angles C4'-P-C4' energy: -35.078
flat angles P-C4'-P energy: -15.278
tors. eta vs tors. theta energy: 12.270
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: 1, replica: 9
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -631.054805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.054805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.054805 (E_RNA)
where:
Base-Base interactions energy: -427.441
where: short stacking energy: -152.894
Base-Backbone interact. energy: -2.307
local terms energy: -201.307536
where:
bonds (distance) C4'-P energy: -40.888
bonds (distance) P-C4' energy: -43.798
flat angles C4'-P-C4' energy: -36.142
flat angles P-C4'-P energy: -27.662
tors. eta vs tors. theta energy: -52.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -566.588204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.588204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.588204 (E_RNA)
where:
Base-Base interactions energy: -366.928
where: short stacking energy: -173.336
Base-Backbone interact. energy: -0.309
local terms energy: -199.351384
where:
bonds (distance) C4'-P energy: -37.214
bonds (distance) P-C4' energy: -40.874
flat angles C4'-P-C4' energy: -37.873
flat angles P-C4'-P energy: -32.063
tors. eta vs tors. theta energy: -51.329
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: 3, replica: 6
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -511.440602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.440602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.440602 (E_RNA)
where:
Base-Base interactions energy: -331.269
where: short stacking energy: -164.803
Base-Backbone interact. energy: -0.509
local terms energy: -179.663106
where:
bonds (distance) C4'-P energy: -25.570
bonds (distance) P-C4' energy: -39.428
flat angles C4'-P-C4' energy: -38.471
flat angles P-C4'-P energy: -26.000
tors. eta vs tors. theta energy: -50.192
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: 4, replica: 2
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -522.000161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.000161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.000161 (E_RNA)
where:
Base-Base interactions energy: -328.495
where: short stacking energy: -156.343
Base-Backbone interact. energy: -0.266
local terms energy: -193.239459
where:
bonds (distance) C4'-P energy: -40.628
bonds (distance) P-C4' energy: -37.979
flat angles C4'-P-C4' energy: -34.735
flat angles P-C4'-P energy: -27.071
tors. eta vs tors. theta energy: -52.826
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: 10
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -503.960243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.960243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.960243 (E_RNA)
where:
Base-Base interactions energy: -311.329
where: short stacking energy: -158.746
Base-Backbone interact. energy: 1.042
local terms energy: -193.673062
where:
bonds (distance) C4'-P energy: -32.833
bonds (distance) P-C4' energy: -38.972
flat angles C4'-P-C4' energy: -42.060
flat angles P-C4'-P energy: -26.938
tors. eta vs tors. theta energy: -52.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -432.826697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.826697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.826697 (E_RNA)
where:
Base-Base interactions energy: -254.071
where: short stacking energy: -114.525
Base-Backbone interact. energy: -1.609
local terms energy: -177.147145
where:
bonds (distance) C4'-P energy: -35.604
bonds (distance) P-C4' energy: -35.369
flat angles C4'-P-C4' energy: -38.559
flat angles P-C4'-P energy: -32.125
tors. eta vs tors. theta energy: -35.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -320.530767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.530767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.530767 (E_RNA)
where:
Base-Base interactions energy: -177.085
where: short stacking energy: -87.931
Base-Backbone interact. energy: -2.495
local terms energy: -140.950265
where:
bonds (distance) C4'-P energy: -35.380
bonds (distance) P-C4' energy: -39.768
flat angles C4'-P-C4' energy: -36.616
flat angles P-C4'-P energy: -17.409
tors. eta vs tors. theta energy: -11.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -290.449437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.449437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.449437 (E_RNA)
where:
Base-Base interactions energy: -153.546
where: short stacking energy: -84.947
Base-Backbone interact. energy: 1.832
local terms energy: -138.734914
where:
bonds (distance) C4'-P energy: -32.210
bonds (distance) P-C4' energy: -39.606
flat angles C4'-P-C4' energy: -31.729
flat angles P-C4'-P energy: -23.337
tors. eta vs tors. theta energy: -11.853
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: 3
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -172.052790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.052790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.052790 (E_RNA)
where:
Base-Base interactions energy: -66.180
where: short stacking energy: -60.338
Base-Backbone interact. energy: -0.392
local terms energy: -105.480224
where:
bonds (distance) C4'-P energy: -34.360
bonds (distance) P-C4' energy: -21.509
flat angles C4'-P-C4' energy: -25.485
flat angles P-C4'-P energy: -21.502
tors. eta vs tors. theta energy: -2.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -166.114134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.114134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.114134 (E_RNA)
where:
Base-Base interactions energy: -56.952
where: short stacking energy: -41.708
Base-Backbone interact. energy: -0.648
local terms energy: -108.513980
where:
bonds (distance) C4'-P energy: -30.287
bonds (distance) P-C4' energy: -39.675
flat angles C4'-P-C4' energy: -24.818
flat angles P-C4'-P energy: -21.495
tors. eta vs tors. theta energy: 7.761
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: 9
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -621.651644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.651644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.651644 (E_RNA)
where:
Base-Base interactions energy: -426.566
where: short stacking energy: -164.047
Base-Backbone interact. energy: -0.954
local terms energy: -194.131379
where:
bonds (distance) C4'-P energy: -43.151
bonds (distance) P-C4' energy: -39.459
flat angles C4'-P-C4' energy: -39.000
flat angles P-C4'-P energy: -23.747
tors. eta vs tors. theta energy: -48.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -579.556066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.556066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.556066 (E_RNA)
where:
Base-Base interactions energy: -382.247
where: short stacking energy: -170.646
Base-Backbone interact. energy: -0.903
local terms energy: -196.406168
where:
bonds (distance) C4'-P energy: -41.214
bonds (distance) P-C4' energy: -35.765
flat angles C4'-P-C4' energy: -42.539
flat angles P-C4'-P energy: -28.882
tors. eta vs tors. theta energy: -48.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -536.307710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.307710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.307710 (E_RNA)
where:
Base-Base interactions energy: -339.973
where: short stacking energy: -173.631
Base-Backbone interact. energy: -0.121
local terms energy: -196.213585
where:
bonds (distance) C4'-P energy: -36.043
bonds (distance) P-C4' energy: -41.848
flat angles C4'-P-C4' energy: -36.559
flat angles P-C4'-P energy: -33.605
tors. eta vs tors. theta energy: -48.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -507.726777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.726777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.726777 (E_RNA)
where:
Base-Base interactions energy: -322.267
where: short stacking energy: -162.593
Base-Backbone interact. energy: 0.028
local terms energy: -185.487305
where:
bonds (distance) C4'-P energy: -34.851
bonds (distance) P-C4' energy: -36.446
flat angles C4'-P-C4' energy: -42.967
flat angles P-C4'-P energy: -24.316
tors. eta vs tors. theta energy: -46.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -482.824170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.824170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.824170 (E_RNA)
where:
Base-Base interactions energy: -304.437
where: short stacking energy: -154.687
Base-Backbone interact. energy: -0.547
local terms energy: -177.839612
where:
bonds (distance) C4'-P energy: -32.224
bonds (distance) P-C4' energy: -36.208
flat angles C4'-P-C4' energy: -39.725
flat angles P-C4'-P energy: -26.673
tors. eta vs tors. theta energy: -43.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -459.377204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.377204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.377204 (E_RNA)
where:
Base-Base interactions energy: -295.682
where: short stacking energy: -136.034
Base-Backbone interact. energy: -0.498
local terms energy: -163.197358
where:
bonds (distance) C4'-P energy: -35.112
bonds (distance) P-C4' energy: -39.582
flat angles C4'-P-C4' energy: -31.401
flat angles P-C4'-P energy: -25.281
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: 7, replica: 7
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -297.692415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.692415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.692415 (E_RNA)
where:
Base-Base interactions energy: -152.815
where: short stacking energy: -77.376
Base-Backbone interact. energy: 1.163
local terms energy: -146.040266
where:
bonds (distance) C4'-P energy: -35.205
bonds (distance) P-C4' energy: -38.881
flat angles C4'-P-C4' energy: -36.929
flat angles P-C4'-P energy: -30.014
tors. eta vs tors. theta energy: -5.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -214.112439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.112439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.112439 (E_RNA)
where:
Base-Base interactions energy: -84.018
where: short stacking energy: -71.121
Base-Backbone interact. energy: 0.479
local terms energy: -130.573873
where:
bonds (distance) C4'-P energy: -35.458
bonds (distance) P-C4' energy: -38.158
flat angles C4'-P-C4' energy: -26.245
flat angles P-C4'-P energy: -16.071
tors. eta vs tors. theta energy: -14.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -263.869767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.869767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.869767 (E_RNA)
where:
Base-Base interactions energy: -121.133
where: short stacking energy: -78.437
Base-Backbone interact. energy: -0.176
local terms energy: -142.561220
where:
bonds (distance) C4'-P energy: -35.193
bonds (distance) P-C4' energy: -38.645
flat angles C4'-P-C4' energy: -30.783
flat angles P-C4'-P energy: -26.118
tors. eta vs tors. theta energy: -11.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -187.098134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.098134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.098134 (E_RNA)
where:
Base-Base interactions energy: -84.825
where: short stacking energy: -44.635
Base-Backbone interact. energy: 2.243
local terms energy: -104.516407
where:
bonds (distance) C4'-P energy: -22.874
bonds (distance) P-C4' energy: -41.534
flat angles C4'-P-C4' energy: -32.302
flat angles P-C4'-P energy: -10.062
tors. eta vs tors. theta energy: 2.255
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: 9
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -635.809933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.809933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.809933 (E_RNA)
where:
Base-Base interactions energy: -430.377
where: short stacking energy: -169.932
Base-Backbone interact. energy: -0.981
local terms energy: -204.452360
where:
bonds (distance) C4'-P energy: -39.544
bonds (distance) P-C4' energy: -42.236
flat angles C4'-P-C4' energy: -42.462
flat angles P-C4'-P energy: -28.052
tors. eta vs tors. theta energy: -52.159
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: 4
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -572.632308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.632308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.632308 (E_RNA)
where:
Base-Base interactions energy: -380.802
where: short stacking energy: -178.212
Base-Backbone interact. energy: -3.106
local terms energy: -188.724346
where:
bonds (distance) C4'-P energy: -34.673
bonds (distance) P-C4' energy: -38.531
flat angles C4'-P-C4' energy: -44.410
flat angles P-C4'-P energy: -24.699
tors. eta vs tors. theta energy: -46.412
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: 3, replica: 6
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -523.493252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.493252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.493252 (E_RNA)
where:
Base-Base interactions energy: -328.385
where: short stacking energy: -154.977
Base-Backbone interact. energy: -0.728
local terms energy: -194.380085
where:
bonds (distance) C4'-P energy: -36.947
bonds (distance) P-C4' energy: -42.837
flat angles C4'-P-C4' energy: -39.300
flat angles P-C4'-P energy: -27.840
tors. eta vs tors. theta energy: -47.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -515.126172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.126172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.126172 (E_RNA)
where:
Base-Base interactions energy: -332.595
where: short stacking energy: -153.150
Base-Backbone interact. energy: -0.363
local terms energy: -182.167964
where:
bonds (distance) C4'-P energy: -37.608
bonds (distance) P-C4' energy: -43.210
flat angles C4'-P-C4' energy: -30.851
flat angles P-C4'-P energy: -22.683
tors. eta vs tors. theta energy: -47.817
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: 60
Temperature: 1.100000
Total energy: -496.125912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.125912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.125912 (E_RNA)
where:
Base-Base interactions energy: -301.026
where: short stacking energy: -169.008
Base-Backbone interact. energy: -0.910
local terms energy: -194.190056
where:
bonds (distance) C4'-P energy: -28.787
bonds (distance) P-C4' energy: -42.258
flat angles C4'-P-C4' energy: -47.369
flat angles P-C4'-P energy: -31.993
tors. eta vs tors. theta energy: -43.784
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: 6, replica: 8
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -448.727485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.727485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.727485 (E_RNA)
where:
Base-Base interactions energy: -289.819
where: short stacking energy: -140.525
Base-Backbone interact. energy: -0.660
local terms energy: -158.248671
where:
bonds (distance) C4'-P energy: -31.694
bonds (distance) P-C4' energy: -34.594
flat angles C4'-P-C4' energy: -36.726
flat angles P-C4'-P energy: -21.504
tors. eta vs tors. theta energy: -33.731
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: 7
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -313.134163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.134163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.134163 (E_RNA)
where:
Base-Base interactions energy: -166.288
where: short stacking energy: -93.633
Base-Backbone interact. energy: -0.571
local terms energy: -146.275530
where:
bonds (distance) C4'-P energy: -29.265
bonds (distance) P-C4' energy: -36.637
flat angles C4'-P-C4' energy: -36.755
flat angles P-C4'-P energy: -22.573
tors. eta vs tors. theta energy: -21.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -208.351761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.351761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.351761 (E_RNA)
where:
Base-Base interactions energy: -97.372
where: short stacking energy: -65.255
Base-Backbone interact. energy: -0.067
local terms energy: -110.913296
where:
bonds (distance) C4'-P energy: -32.318
bonds (distance) P-C4' energy: -37.568
flat angles C4'-P-C4' energy: -19.704
flat angles P-C4'-P energy: -20.358
tors. eta vs tors. theta energy: -0.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -231.051636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.051636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.051636 (E_RNA)
where:
Base-Base interactions energy: -99.425
where: short stacking energy: -58.590
Base-Backbone interact. energy: -0.920
local terms energy: -130.706725
where:
bonds (distance) C4'-P energy: -27.574
bonds (distance) P-C4' energy: -38.411
flat angles C4'-P-C4' energy: -42.213
flat angles P-C4'-P energy: -22.141
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: 5
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -182.417526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.417526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.417526 (E_RNA)
where:
Base-Base interactions energy: -47.908
where: short stacking energy: -40.536
Base-Backbone interact. energy: -0.053
local terms energy: -134.456246
where:
bonds (distance) C4'-P energy: -39.326
bonds (distance) P-C4' energy: -42.163
flat angles C4'-P-C4' energy: -35.984
flat angles P-C4'-P energy: -17.214
tors. eta vs tors. theta energy: 0.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -649.604028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.604028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.604028 (E_RNA)
where:
Base-Base interactions energy: -441.184
where: short stacking energy: -191.444
Base-Backbone interact. energy: -1.058
local terms energy: -207.361909
where:
bonds (distance) C4'-P energy: -29.266
bonds (distance) P-C4' energy: -41.298
flat angles C4'-P-C4' energy: -48.268
flat angles P-C4'-P energy: -29.123
tors. eta vs tors. theta energy: -59.407
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: 2, replica: 4
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -571.864501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.864501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.864501 (E_RNA)
where:
Base-Base interactions energy: -378.905
where: short stacking energy: -176.064
Base-Backbone interact. energy: -1.382
local terms energy: -191.577244
where:
bonds (distance) C4'-P energy: -33.245
bonds (distance) P-C4' energy: -41.626
flat angles C4'-P-C4' energy: -39.875
flat angles P-C4'-P energy: -30.372
tors. eta vs tors. theta energy: -46.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -554.169944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.169944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.169944 (E_RNA)
where:
Base-Base interactions energy: -334.362
where: short stacking energy: -179.680
Base-Backbone interact. energy: -0.550
local terms energy: -219.258227
where:
bonds (distance) C4'-P energy: -46.793
bonds (distance) P-C4' energy: -40.820
flat angles C4'-P-C4' energy: -41.972
flat angles P-C4'-P energy: -30.878
tors. eta vs tors. theta energy: -58.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -491.159471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.159471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.159471 (E_RNA)
where:
Base-Base interactions energy: -302.057
where: short stacking energy: -149.508
Base-Backbone interact. energy: -0.285
local terms energy: -188.817877
where:
bonds (distance) C4'-P energy: -31.534
bonds (distance) P-C4' energy: -43.547
flat angles C4'-P-C4' energy: -41.095
flat angles P-C4'-P energy: -28.556
tors. eta vs tors. theta energy: -44.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -494.740942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.740942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.740942 (E_RNA)
where:
Base-Base interactions energy: -306.614
where: short stacking energy: -164.318
Base-Backbone interact. energy: -0.896
local terms energy: -187.230714
where:
bonds (distance) C4'-P energy: -34.032
bonds (distance) P-C4' energy: -37.855
flat angles C4'-P-C4' energy: -41.827
flat angles P-C4'-P energy: -27.006
tors. eta vs tors. theta energy: -46.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -479.291528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.291528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.291528 (E_RNA)
where:
Base-Base interactions energy: -310.764
where: short stacking energy: -154.862
Base-Backbone interact. energy: -1.715
local terms energy: -166.812823
where:
bonds (distance) C4'-P energy: -33.856
bonds (distance) P-C4' energy: -25.731
flat angles C4'-P-C4' energy: -37.739
flat angles P-C4'-P energy: -30.887
tors. eta vs tors. theta energy: -38.599
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: 7
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -296.201755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.201755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.201755 (E_RNA)
where:
Base-Base interactions energy: -153.092
where: short stacking energy: -69.057
Base-Backbone interact. energy: 0.925
local terms energy: -144.035061
where:
bonds (distance) C4'-P energy: -35.171
bonds (distance) P-C4' energy: -47.173
flat angles C4'-P-C4' energy: -31.987
flat angles P-C4'-P energy: -15.157
tors. eta vs tors. theta energy: -14.546
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: 61
Temperature: 1.250000
Total energy: -247.979044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.979044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.979044 (E_RNA)
where:
Base-Base interactions energy: -112.524
where: short stacking energy: -86.859
Base-Backbone interact. energy: 0.108
local terms energy: -135.563061
where:
bonds (distance) C4'-P energy: -37.003
bonds (distance) P-C4' energy: -31.268
flat angles C4'-P-C4' energy: -30.240
flat angles P-C4'-P energy: -23.565
tors. eta vs tors. theta energy: -13.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -170.109390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.109390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.109390 (E_RNA)
where:
Base-Base interactions energy: -61.569
where: short stacking energy: -61.569
Base-Backbone interact. energy: -0.658
local terms energy: -107.882182
where:
bonds (distance) C4'-P energy: -29.429
bonds (distance) P-C4' energy: -31.086
flat angles C4'-P-C4' energy: -27.715
flat angles P-C4'-P energy: -17.541
tors. eta vs tors. theta energy: -2.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -178.423876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.423876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.423876 (E_RNA)
where:
Base-Base interactions energy: -57.381
where: short stacking energy: -45.776
Base-Backbone interact. energy: -1.106
local terms energy: -119.936093
where:
bonds (distance) C4'-P energy: -29.002
bonds (distance) P-C4' energy: -36.907
flat angles C4'-P-C4' energy: -31.257
flat angles P-C4'-P energy: -22.924
tors. eta vs tors. theta energy: 0.153
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: 9
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -642.388921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.388921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.388921 (E_RNA)
where:
Base-Base interactions energy: -443.176
where: short stacking energy: -186.017
Base-Backbone interact. energy: -0.414
local terms energy: -198.798833
where:
bonds (distance) C4'-P energy: -30.280
bonds (distance) P-C4' energy: -39.260
flat angles C4'-P-C4' energy: -42.332
flat angles P-C4'-P energy: -30.040
tors. eta vs tors. theta energy: -56.886
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: 4
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -586.413530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.413530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.413530 (E_RNA)
where:
Base-Base interactions energy: -380.853
where: short stacking energy: -180.965
Base-Backbone interact. energy: -1.500
local terms energy: -204.059960
where:
bonds (distance) C4'-P energy: -39.621
bonds (distance) P-C4' energy: -43.411
flat angles C4'-P-C4' energy: -42.732
flat angles P-C4'-P energy: -30.314
tors. eta vs tors. theta energy: -47.982
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: 3, replica: 6
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -542.196972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.196972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.196972 (E_RNA)
where:
Base-Base interactions energy: -332.912
where: short stacking energy: -170.010
Base-Backbone interact. energy: -0.286
local terms energy: -208.998897
where:
bonds (distance) C4'-P energy: -41.728
bonds (distance) P-C4' energy: -42.485
flat angles C4'-P-C4' energy: -43.538
flat angles P-C4'-P energy: -27.949
tors. eta vs tors. theta energy: -53.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -480.966577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.966577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.966577 (E_RNA)
where:
Base-Base interactions energy: -282.917
where: short stacking energy: -152.211
Base-Backbone interact. energy: -0.224
local terms energy: -197.825290
where:
bonds (distance) C4'-P energy: -41.968
bonds (distance) P-C4' energy: -38.446
flat angles C4'-P-C4' energy: -42.248
flat angles P-C4'-P energy: -29.377
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: 5, replica: 10
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -481.210161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.210161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.210161 (E_RNA)
where:
Base-Base interactions energy: -302.307
where: short stacking energy: -156.666
Base-Backbone interact. energy: -0.863
local terms energy: -178.039655
where:
bonds (distance) C4'-P energy: -32.406
bonds (distance) P-C4' energy: -32.566
flat angles C4'-P-C4' energy: -42.693
flat angles P-C4'-P energy: -23.877
tors. eta vs tors. theta energy: -46.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -502.267153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.267153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.267153 (E_RNA)
where:
Base-Base interactions energy: -328.384
where: short stacking energy: -140.260
Base-Backbone interact. energy: -1.215
local terms energy: -172.668140
where:
bonds (distance) C4'-P energy: -34.863
bonds (distance) P-C4' energy: -33.678
flat angles C4'-P-C4' energy: -41.775
flat angles P-C4'-P energy: -26.923
tors. eta vs tors. theta energy: -35.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -360.508203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.508203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.508203 (E_RNA)
where:
Base-Base interactions energy: -200.181
where: short stacking energy: -93.286
Base-Backbone interact. energy: 0.548
local terms energy: -160.874402
where:
bonds (distance) C4'-P energy: -30.864
bonds (distance) P-C4' energy: -37.038
flat angles C4'-P-C4' energy: -34.684
flat angles P-C4'-P energy: -30.081
tors. eta vs tors. theta energy: -28.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -208.225667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.225667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.225667 (E_RNA)
where:
Base-Base interactions energy: -85.656
where: short stacking energy: -60.707
Base-Backbone interact. energy: -0.764
local terms energy: -121.805441
where:
bonds (distance) C4'-P energy: -32.238
bonds (distance) P-C4' energy: -33.123
flat angles C4'-P-C4' energy: -25.797
flat angles P-C4'-P energy: -18.463
tors. eta vs tors. theta energy: -12.186
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: 9, replica: 3
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -180.427205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.427205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.427205 (E_RNA)
where:
Base-Base interactions energy: -47.556
where: short stacking energy: -40.283
Base-Backbone interact. energy: -0.256
local terms energy: -132.615388
where:
bonds (distance) C4'-P energy: -35.069
bonds (distance) P-C4' energy: -38.459
flat angles C4'-P-C4' energy: -33.499
flat angles P-C4'-P energy: -21.665
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: 5
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -167.205674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.205674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.205674 (E_RNA)
where:
Base-Base interactions energy: -58.916
where: short stacking energy: -44.967
Base-Backbone interact. energy: -0.599
local terms energy: -107.690733
where:
bonds (distance) C4'-P energy: -25.920
bonds (distance) P-C4' energy: -39.674
flat angles C4'-P-C4' energy: -18.485
flat angles P-C4'-P energy: -21.942
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: 1, replica: 9
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -629.690214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.690214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.690214 (E_RNA)
where:
Base-Base interactions energy: -423.883
where: short stacking energy: -161.997
Base-Backbone interact. energy: -1.257
local terms energy: -204.550786
where:
bonds (distance) C4'-P energy: -33.556
bonds (distance) P-C4' energy: -44.805
flat angles C4'-P-C4' energy: -44.529
flat angles P-C4'-P energy: -28.118
tors. eta vs tors. theta energy: -53.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -553.344651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.344651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.344651 (E_RNA)
where:
Base-Base interactions energy: -351.920
where: short stacking energy: -166.044
Base-Backbone interact. energy: -0.809
local terms energy: -200.615986
where:
bonds (distance) C4'-P energy: -38.874
bonds (distance) P-C4' energy: -41.740
flat angles C4'-P-C4' energy: -43.657
flat angles P-C4'-P energy: -27.351
tors. eta vs tors. theta energy: -48.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -529.617224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.617224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.617224 (E_RNA)
where:
Base-Base interactions energy: -330.410
where: short stacking energy: -173.455
Base-Backbone interact. energy: -0.677
local terms energy: -198.530367
where:
bonds (distance) C4'-P energy: -36.093
bonds (distance) P-C4' energy: -43.128
flat angles C4'-P-C4' energy: -40.491
flat angles P-C4'-P energy: -28.121
tors. eta vs tors. theta energy: -50.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -507.757204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.757204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.757204 (E_RNA)
where:
Base-Base interactions energy: -310.293
where: short stacking energy: -162.460
Base-Backbone interact. energy: -0.448
local terms energy: -197.016393
where:
bonds (distance) C4'-P energy: -36.180
bonds (distance) P-C4' energy: -41.305
flat angles C4'-P-C4' energy: -41.287
flat angles P-C4'-P energy: -31.271
tors. eta vs tors. theta energy: -46.973
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: 2
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -475.356661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.356661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.356661 (E_RNA)
where:
Base-Base interactions energy: -290.113
where: short stacking energy: -132.565
Base-Backbone interact. energy: -0.519
local terms energy: -184.724759
where:
bonds (distance) C4'-P energy: -38.538
bonds (distance) P-C4' energy: -41.039
flat angles C4'-P-C4' energy: -37.322
flat angles P-C4'-P energy: -28.602
tors. eta vs tors. theta energy: -39.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -516.433728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.433728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.433728 (E_RNA)
where:
Base-Base interactions energy: -337.998
where: short stacking energy: -161.778
Base-Backbone interact. energy: -0.533
local terms energy: -177.902566
where:
bonds (distance) C4'-P energy: -38.841
bonds (distance) P-C4' energy: -32.081
flat angles C4'-P-C4' energy: -32.175
flat angles P-C4'-P energy: -25.511
tors. eta vs tors. theta energy: -49.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -320.185266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.185266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.185266 (E_RNA)
where:
Base-Base interactions energy: -193.735
where: short stacking energy: -100.884
Base-Backbone interact. energy: -1.186
local terms energy: -125.264537
where:
bonds (distance) C4'-P energy: -38.189
bonds (distance) P-C4' energy: -26.513
flat angles C4'-P-C4' energy: -37.516
flat angles P-C4'-P energy: -9.003
tors. eta vs tors. theta energy: -14.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -235.316980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.316980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.316980 (E_RNA)
where:
Base-Base interactions energy: -106.263
where: short stacking energy: -75.535
Base-Backbone interact. energy: -1.894
local terms energy: -127.159958
where:
bonds (distance) C4'-P energy: -36.687
bonds (distance) P-C4' energy: -26.434
flat angles C4'-P-C4' energy: -38.065
flat angles P-C4'-P energy: -24.030
tors. eta vs tors. theta energy: -1.943
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: 9, replica: 1
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -203.346504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.346504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.346504 (E_RNA)
where:
Base-Base interactions energy: -78.887
where: short stacking energy: -57.527
Base-Backbone interact. energy: -1.600
local terms energy: -122.858931
where:
bonds (distance) C4'-P energy: -36.237
bonds (distance) P-C4' energy: -34.166
flat angles C4'-P-C4' energy: -26.387
flat angles P-C4'-P energy: -28.905
tors. eta vs tors. theta energy: 2.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -179.044059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.044059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.044059 (E_RNA)
where:
Base-Base interactions energy: -63.261
where: short stacking energy: -53.618
Base-Backbone interact. energy: -0.398
local terms energy: -115.384381
where:
bonds (distance) C4'-P energy: -42.028
bonds (distance) P-C4' energy: -20.769
flat angles C4'-P-C4' energy: -34.415
flat angles P-C4'-P energy: -12.497
tors. eta vs tors. theta energy: -5.676
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: 1, replica: 9
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -633.024203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.024203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.024203 (E_RNA)
where:
Base-Base interactions energy: -425.840
where: short stacking energy: -168.861
Base-Backbone interact. energy: -1.547
local terms energy: -205.638093
where:
bonds (distance) C4'-P energy: -44.853
bonds (distance) P-C4' energy: -38.881
flat angles C4'-P-C4' energy: -39.265
flat angles P-C4'-P energy: -32.345
tors. eta vs tors. theta energy: -50.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -569.716514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.716514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.716514 (E_RNA)
where:
Base-Base interactions energy: -372.880
where: short stacking energy: -162.982
Base-Backbone interact. energy: -0.688
local terms energy: -196.147777
where:
bonds (distance) C4'-P energy: -41.236
bonds (distance) P-C4' energy: -41.410
flat angles C4'-P-C4' energy: -39.715
flat angles P-C4'-P energy: -25.201
tors. eta vs tors. theta energy: -48.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -535.914787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.914787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.914787 (E_RNA)
where:
Base-Base interactions energy: -324.535
where: short stacking energy: -175.097
Base-Backbone interact. energy: 2.251
local terms energy: -213.630771
where:
bonds (distance) C4'-P energy: -38.890
bonds (distance) P-C4' energy: -40.898
flat angles C4'-P-C4' energy: -40.425
flat angles P-C4'-P energy: -34.001
tors. eta vs tors. theta energy: -59.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -491.075658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.075658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.075658 (E_RNA)
where:
Base-Base interactions energy: -290.963
where: short stacking energy: -144.466
Base-Backbone interact. energy: -0.602
local terms energy: -199.510931
where:
bonds (distance) C4'-P energy: -42.570
bonds (distance) P-C4' energy: -45.673
flat angles C4'-P-C4' energy: -43.772
flat angles P-C4'-P energy: -22.884
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: 5, replica: 8
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -521.398247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.398247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.398247 (E_RNA)
where:
Base-Base interactions energy: -329.170
where: short stacking energy: -151.476
Base-Backbone interact. energy: -0.925
local terms energy: -191.303477
where:
bonds (distance) C4'-P energy: -42.298
bonds (distance) P-C4' energy: -40.666
flat angles C4'-P-C4' energy: -42.623
flat angles P-C4'-P energy: -19.819
tors. eta vs tors. theta energy: -45.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -426.874188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.874188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.874188 (E_RNA)
where:
Base-Base interactions energy: -259.010
where: short stacking energy: -114.079
Base-Backbone interact. energy: -0.147
local terms energy: -167.717147
where:
bonds (distance) C4'-P energy: -36.711
bonds (distance) P-C4' energy: -41.110
flat angles C4'-P-C4' energy: -34.054
flat angles P-C4'-P energy: -24.323
tors. eta vs tors. theta energy: -31.520
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: 7
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -332.327057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.327057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.327057 (E_RNA)
where:
Base-Base interactions energy: -195.541
where: short stacking energy: -105.859
Base-Backbone interact. energy: -0.624
local terms energy: -136.162260
where:
bonds (distance) C4'-P energy: -29.552
bonds (distance) P-C4' energy: -38.847
flat angles C4'-P-C4' energy: -35.629
flat angles P-C4'-P energy: -14.924
tors. eta vs tors. theta energy: -17.209
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: 3
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -256.467326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.467326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.467326 (E_RNA)
where:
Base-Base interactions energy: -125.342
where: short stacking energy: -66.331
Base-Backbone interact. energy: -1.399
local terms energy: -129.726004
where:
bonds (distance) C4'-P energy: -33.437
bonds (distance) P-C4' energy: -39.953
flat angles C4'-P-C4' energy: -32.566
flat angles P-C4'-P energy: -29.473
tors. eta vs tors. theta energy: 5.703
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: 64
Temperature: 1.300000
Total energy: -197.654303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.654303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.654303 (E_RNA)
where:
Base-Base interactions energy: -70.325
where: short stacking energy: -56.900
Base-Backbone interact. energy: -0.033
local terms energy: -127.296777
where:
bonds (distance) C4'-P energy: -37.820
bonds (distance) P-C4' energy: -37.039
flat angles C4'-P-C4' energy: -33.173
flat angles P-C4'-P energy: -14.055
tors. eta vs tors. theta energy: -5.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -180.936560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.936560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.936560 (E_RNA)
where:
Base-Base interactions energy: -67.439
where: short stacking energy: -48.343
Base-Backbone interact. energy: 0.244
local terms energy: -113.742175
where:
bonds (distance) C4'-P energy: -32.852
bonds (distance) P-C4' energy: -38.674
flat angles C4'-P-C4' energy: -27.843
flat angles P-C4'-P energy: -22.121
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: 9
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -642.699937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.699937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.699937 (E_RNA)
where:
Base-Base interactions energy: -445.442
where: short stacking energy: -188.407
Base-Backbone interact. energy: -0.771
local terms energy: -196.487449
where:
bonds (distance) C4'-P energy: -35.244
bonds (distance) P-C4' energy: -36.545
flat angles C4'-P-C4' energy: -44.131
flat angles P-C4'-P energy: -26.359
tors. eta vs tors. theta energy: -54.209
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: 65
Temperature: 0.950000
Total energy: -588.242963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.242963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.242963 (E_RNA)
where:
Base-Base interactions energy: -381.166
where: short stacking energy: -164.843
Base-Backbone interact. energy: -0.725
local terms energy: -206.352017
where:
bonds (distance) C4'-P energy: -35.700
bonds (distance) P-C4' energy: -41.154
flat angles C4'-P-C4' energy: -44.138
flat angles P-C4'-P energy: -31.272
tors. eta vs tors. theta energy: -54.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -511.149425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.149425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.149425 (E_RNA)
where:
Base-Base interactions energy: -318.723
where: short stacking energy: -171.897
Base-Backbone interact. energy: -0.544
local terms energy: -191.882070
where:
bonds (distance) C4'-P energy: -38.941
bonds (distance) P-C4' energy: -39.349
flat angles C4'-P-C4' energy: -40.479
flat angles P-C4'-P energy: -24.942
tors. eta vs tors. theta energy: -48.171
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: 4, replica: 8
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -560.740375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.740375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.740375 (E_RNA)
where:
Base-Base interactions energy: -370.165
where: short stacking energy: -166.306
Base-Backbone interact. energy: -0.224
local terms energy: -190.351794
where:
bonds (distance) C4'-P energy: -39.265
bonds (distance) P-C4' energy: -30.213
flat angles C4'-P-C4' energy: -41.328
flat angles P-C4'-P energy: -27.313
tors. eta vs tors. theta energy: -52.232
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: 6
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -453.161888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.161888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.161888 (E_RNA)
where:
Base-Base interactions energy: -281.252
where: short stacking energy: -148.134
Base-Backbone interact. energy: -1.207
local terms energy: -170.702755
where:
bonds (distance) C4'-P energy: -32.782
bonds (distance) P-C4' energy: -33.271
flat angles C4'-P-C4' energy: -36.788
flat angles P-C4'-P energy: -26.680
tors. eta vs tors. theta energy: -41.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -445.254224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.254224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.254224 (E_RNA)
where:
Base-Base interactions energy: -260.901
where: short stacking energy: -140.474
Base-Backbone interact. energy: -0.556
local terms energy: -183.796602
where:
bonds (distance) C4'-P energy: -38.119
bonds (distance) P-C4' energy: -31.516
flat angles C4'-P-C4' energy: -39.828
flat angles P-C4'-P energy: -24.399
tors. eta vs tors. theta energy: -49.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -339.710307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.710307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.710307 (E_RNA)
where:
Base-Base interactions energy: -182.855
where: short stacking energy: -100.247
Base-Backbone interact. energy: 0.141
local terms energy: -156.995650
where:
bonds (distance) C4'-P energy: -34.451
bonds (distance) P-C4' energy: -43.433
flat angles C4'-P-C4' energy: -38.119
flat angles P-C4'-P energy: -16.838
tors. eta vs tors. theta energy: -24.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -205.040474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.040474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.040474 (E_RNA)
where:
Base-Base interactions energy: -74.779
where: short stacking energy: -60.268
Base-Backbone interact. energy: -0.049
local terms energy: -130.212722
where:
bonds (distance) C4'-P energy: -36.830
bonds (distance) P-C4' energy: -29.316
flat angles C4'-P-C4' energy: -33.757
flat angles P-C4'-P energy: -23.692
tors. eta vs tors. theta energy: -6.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -185.864378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.864378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.864378 (E_RNA)
where:
Base-Base interactions energy: -72.293
where: short stacking energy: -51.416
Base-Backbone interact. energy: -0.416
local terms energy: -113.155372
where:
bonds (distance) C4'-P energy: -27.839
bonds (distance) P-C4' energy: -34.439
flat angles C4'-P-C4' energy: -31.989
flat angles P-C4'-P energy: -19.087
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: 1
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -171.191469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.191469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.191469 (E_RNA)
where:
Base-Base interactions energy: -71.818
where: short stacking energy: -54.565
Base-Backbone interact. energy: 1.002
local terms energy: -100.375965
where:
bonds (distance) C4'-P energy: -27.109
bonds (distance) P-C4' energy: -28.762
flat angles C4'-P-C4' energy: -27.853
flat angles P-C4'-P energy: -15.122
tors. eta vs tors. theta energy: -1.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -621.138693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.138693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.138693 (E_RNA)
where:
Base-Base interactions energy: -412.657
where: short stacking energy: -173.945
Base-Backbone interact. energy: -1.310
local terms energy: -207.171528
where:
bonds (distance) C4'-P energy: -40.403
bonds (distance) P-C4' energy: -41.299
flat angles C4'-P-C4' energy: -44.699
flat angles P-C4'-P energy: -32.626
tors. eta vs tors. theta energy: -48.145
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: 4
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -586.768308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.768308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.768308 (E_RNA)
where:
Base-Base interactions energy: -389.501
where: short stacking energy: -159.357
Base-Backbone interact. energy: 0.449
local terms energy: -197.716464
where:
bonds (distance) C4'-P energy: -37.599
bonds (distance) P-C4' energy: -38.980
flat angles C4'-P-C4' energy: -39.339
flat angles P-C4'-P energy: -28.356
tors. eta vs tors. theta energy: -53.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -590.620036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.620036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.620036 (E_RNA)
where:
Base-Base interactions energy: -390.155
where: short stacking energy: -190.180
Base-Backbone interact. energy: -1.003
local terms energy: -199.462232
where:
bonds (distance) C4'-P energy: -33.233
bonds (distance) P-C4' energy: -35.256
flat angles C4'-P-C4' energy: -37.818
flat angles P-C4'-P energy: -29.907
tors. eta vs tors. theta energy: -63.249
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: 10
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -492.131613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.131613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.131613 (E_RNA)
where:
Base-Base interactions energy: -296.376
where: short stacking energy: -157.424
Base-Backbone interact. energy: -0.563
local terms energy: -195.192789
where:
bonds (distance) C4'-P energy: -38.253
bonds (distance) P-C4' energy: -41.603
flat angles C4'-P-C4' energy: -38.966
flat angles P-C4'-P energy: -27.497
tors. eta vs tors. theta energy: -48.874
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: 2
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -444.837595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.837595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.837595 (E_RNA)
where:
Base-Base interactions energy: -270.001
where: short stacking energy: -151.695
Base-Backbone interact. energy: -0.392
local terms energy: -174.444655
where:
bonds (distance) C4'-P energy: -42.273
bonds (distance) P-C4' energy: -24.278
flat angles C4'-P-C4' energy: -43.708
flat angles P-C4'-P energy: -21.700
tors. eta vs tors. theta energy: -42.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -433.445439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.445439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.445439 (E_RNA)
where:
Base-Base interactions energy: -281.827
where: short stacking energy: -139.099
Base-Backbone interact. energy: -0.459
local terms energy: -151.159582
where:
bonds (distance) C4'-P energy: -33.308
bonds (distance) P-C4' energy: -31.777
flat angles C4'-P-C4' energy: -37.398
flat angles P-C4'-P energy: -12.075
tors. eta vs tors. theta energy: -36.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -326.205553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.205553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.205553 (E_RNA)
where:
Base-Base interactions energy: -173.033
where: short stacking energy: -106.208
Base-Backbone interact. energy: 1.977
local terms energy: -155.149167
where:
bonds (distance) C4'-P energy: -34.715
bonds (distance) P-C4' energy: -40.566
flat angles C4'-P-C4' energy: -38.223
flat angles P-C4'-P energy: -18.533
tors. eta vs tors. theta energy: -23.111
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: 8, replica: 3
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -201.319494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.319494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.319494 (E_RNA)
where:
Base-Base interactions energy: -85.915
where: short stacking energy: -66.772
Base-Backbone interact. energy: -0.642
local terms energy: -114.762396
where:
bonds (distance) C4'-P energy: -33.847
bonds (distance) P-C4' energy: -33.401
flat angles C4'-P-C4' energy: -27.966
flat angles P-C4'-P energy: -12.454
tors. eta vs tors. theta energy: -7.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -190.656314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.656314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.656314 (E_RNA)
where:
Base-Base interactions energy: -72.632
where: short stacking energy: -55.864
Base-Backbone interact. energy: -1.409
local terms energy: -116.615095
where:
bonds (distance) C4'-P energy: -42.175
bonds (distance) P-C4' energy: -35.961
flat angles C4'-P-C4' energy: -19.395
flat angles P-C4'-P energy: -20.693
tors. eta vs tors. theta energy: 1.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -160.665522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.665522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.665522 (E_RNA)
where:
Base-Base interactions energy: -49.721
where: short stacking energy: -35.839
Base-Backbone interact. energy: 0.028
local terms energy: -110.972874
where:
bonds (distance) C4'-P energy: -20.762
bonds (distance) P-C4' energy: -43.579
flat angles C4'-P-C4' energy: -39.616
flat angles P-C4'-P energy: -9.073
tors. eta vs tors. theta energy: 2.058
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: 9
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -629.392794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.392794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.392794 (E_RNA)
where:
Base-Base interactions energy: -424.151
where: short stacking energy: -181.247
Base-Backbone interact. energy: -2.258
local terms energy: -202.984002
where:
bonds (distance) C4'-P energy: -43.898
bonds (distance) P-C4' energy: -36.289
flat angles C4'-P-C4' energy: -45.373
flat angles P-C4'-P energy: -30.825
tors. eta vs tors. theta energy: -46.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -592.617784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.617784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.617784 (E_RNA)
where:
Base-Base interactions energy: -394.152
where: short stacking energy: -173.748
Base-Backbone interact. energy: 0.285
local terms energy: -198.751105
where:
bonds (distance) C4'-P energy: -36.854
bonds (distance) P-C4' energy: -35.473
flat angles C4'-P-C4' energy: -40.790
flat angles P-C4'-P energy: -31.731
tors. eta vs tors. theta energy: -53.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -577.382067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.382067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.382067 (E_RNA)
where:
Base-Base interactions energy: -377.594
where: short stacking energy: -179.730
Base-Backbone interact. energy: -0.040
local terms energy: -199.747989
where:
bonds (distance) C4'-P energy: -42.793
bonds (distance) P-C4' energy: -33.822
flat angles C4'-P-C4' energy: -37.590
flat angles P-C4'-P energy: -29.601
tors. eta vs tors. theta energy: -55.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -450.727872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.727872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.727872 (E_RNA)
where:
Base-Base interactions energy: -275.054
where: short stacking energy: -139.446
Base-Backbone interact. energy: -0.533
local terms energy: -175.140726
where:
bonds (distance) C4'-P energy: -34.379
bonds (distance) P-C4' energy: -41.632
flat angles C4'-P-C4' energy: -36.628
flat angles P-C4'-P energy: -25.525
tors. eta vs tors. theta energy: -36.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -475.891143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.891143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.891143 (E_RNA)
where:
Base-Base interactions energy: -298.122
where: short stacking energy: -171.180
Base-Backbone interact. energy: -0.653
local terms energy: -177.115501
where:
bonds (distance) C4'-P energy: -33.021
bonds (distance) P-C4' energy: -37.332
flat angles C4'-P-C4' energy: -38.112
flat angles P-C4'-P energy: -27.574
tors. eta vs tors. theta energy: -41.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -433.090642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.090642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.090642 (E_RNA)
where:
Base-Base interactions energy: -271.634
where: short stacking energy: -124.569
Base-Backbone interact. energy: -0.236
local terms energy: -161.221343
where:
bonds (distance) C4'-P energy: -36.719
bonds (distance) P-C4' energy: -32.480
flat angles C4'-P-C4' energy: -42.670
flat angles P-C4'-P energy: -17.463
tors. eta vs tors. theta energy: -31.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -327.267387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.267387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.267387 (E_RNA)
where:
Base-Base interactions energy: -192.306
where: short stacking energy: -90.253
Base-Backbone interact. energy: -0.964
local terms energy: -133.998162
where:
bonds (distance) C4'-P energy: -36.705
bonds (distance) P-C4' energy: -33.571
flat angles C4'-P-C4' energy: -36.632
flat angles P-C4'-P energy: -11.293
tors. eta vs tors. theta energy: -15.798
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: 8, replica: 5
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -187.492946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.492946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.492946 (E_RNA)
where:
Base-Base interactions energy: -71.822
where: short stacking energy: -56.613
Base-Backbone interact. energy: -1.566
local terms energy: -114.104980
where:
bonds (distance) C4'-P energy: -26.632
bonds (distance) P-C4' energy: -37.016
flat angles C4'-P-C4' energy: -27.358
flat angles P-C4'-P energy: -23.750
tors. eta vs tors. theta energy: 0.651
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: 3
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -187.353190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.353190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.353190 (E_RNA)
where:
Base-Base interactions energy: -55.545
where: short stacking energy: -47.804
Base-Backbone interact. energy: -0.829
local terms energy: -130.979726
where:
bonds (distance) C4'-P energy: -36.783
bonds (distance) P-C4' energy: -35.584
flat angles C4'-P-C4' energy: -31.993
flat angles P-C4'-P energy: -21.759
tors. eta vs tors. theta energy: -4.860
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: 10, replica: 1
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -193.312134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.312134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.312134 (E_RNA)
where:
Base-Base interactions energy: -65.602
where: short stacking energy: -61.041
Base-Backbone interact. energy: 1.889
local terms energy: -129.599168
where:
bonds (distance) C4'-P energy: -40.978
bonds (distance) P-C4' energy: -36.834
flat angles C4'-P-C4' energy: -28.788
flat angles P-C4'-P energy: -22.904
tors. eta vs tors. theta energy: -0.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -587.824399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.824399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.824399 (E_RNA)
where:
Base-Base interactions energy: -381.691
where: short stacking energy: -165.765
Base-Backbone interact. energy: -0.291
local terms energy: -205.842095
where:
bonds (distance) C4'-P energy: -32.840
bonds (distance) P-C4' energy: -47.560
flat angles C4'-P-C4' energy: -45.231
flat angles P-C4'-P energy: -31.019
tors. eta vs tors. theta energy: -49.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -619.818646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.818646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.818646 (E_RNA)
where:
Base-Base interactions energy: -407.682
where: short stacking energy: -180.474
Base-Backbone interact. energy: -0.357
local terms energy: -211.779447
where:
bonds (distance) C4'-P energy: -38.596
bonds (distance) P-C4' energy: -40.271
flat angles C4'-P-C4' energy: -44.032
flat angles P-C4'-P energy: -30.171
tors. eta vs tors. theta energy: -58.710
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: 8
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -588.490906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.490906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.490906 (E_RNA)
where:
Base-Base interactions energy: -386.440
where: short stacking energy: -168.149
Base-Backbone interact. energy: 1.159
local terms energy: -203.210009
where:
bonds (distance) C4'-P energy: -38.220
bonds (distance) P-C4' energy: -37.940
flat angles C4'-P-C4' energy: -42.578
flat angles P-C4'-P energy: -29.214
tors. eta vs tors. theta energy: -55.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -474.577488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.577488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.577488 (E_RNA)
where:
Base-Base interactions energy: -299.962
where: short stacking energy: -131.068
Base-Backbone interact. energy: 0.152
local terms energy: -174.768060
where:
bonds (distance) C4'-P energy: -39.800
bonds (distance) P-C4' energy: -33.773
flat angles C4'-P-C4' energy: -45.140
flat angles P-C4'-P energy: -22.922
tors. eta vs tors. theta energy: -33.133
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: 68
Temperature: 1.100000
Total energy: -433.481932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.481932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.481932 (E_RNA)
where:
Base-Base interactions energy: -250.742
where: short stacking energy: -135.136
Base-Backbone interact. energy: -0.352
local terms energy: -182.387276
where:
bonds (distance) C4'-P energy: -39.754
bonds (distance) P-C4' energy: -34.201
flat angles C4'-P-C4' energy: -47.218
flat angles P-C4'-P energy: -25.005
tors. eta vs tors. theta energy: -36.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -458.724313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.724313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.724313 (E_RNA)
where:
Base-Base interactions energy: -288.869
where: short stacking energy: -144.988
Base-Backbone interact. energy: 0.144
local terms energy: -169.999300
where:
bonds (distance) C4'-P energy: -37.851
bonds (distance) P-C4' energy: -35.359
flat angles C4'-P-C4' energy: -32.975
flat angles P-C4'-P energy: -23.082
tors. eta vs tors. theta energy: -40.731
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: 7
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -328.344046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.344046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.344046 (E_RNA)
where:
Base-Base interactions energy: -187.790
where: short stacking energy: -97.279
Base-Backbone interact. energy: -0.755
local terms energy: -139.798982
where:
bonds (distance) C4'-P energy: -30.406
bonds (distance) P-C4' energy: -43.832
flat angles C4'-P-C4' energy: -31.132
flat angles P-C4'-P energy: -22.470
tors. eta vs tors. theta energy: -11.959
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: 8, replica: 5
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -221.465071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.465071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.465071 (E_RNA)
where:
Base-Base interactions energy: -102.454
where: short stacking energy: -59.101
Base-Backbone interact. energy: 0.091
local terms energy: -119.102234
where:
bonds (distance) C4'-P energy: -38.472
bonds (distance) P-C4' energy: -31.059
flat angles C4'-P-C4' energy: -28.554
flat angles P-C4'-P energy: -17.297
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: 9, replica: 1
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -201.584646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.584646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.584646 (E_RNA)
where:
Base-Base interactions energy: -94.853
where: short stacking energy: -59.154
Base-Backbone interact. energy: 1.631
local terms energy: -108.363253
where:
bonds (distance) C4'-P energy: -29.252
bonds (distance) P-C4' energy: -25.800
flat angles C4'-P-C4' energy: -27.329
flat angles P-C4'-P energy: -19.663
tors. eta vs tors. theta energy: -6.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -196.136486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.136486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.136486 (E_RNA)
where:
Base-Base interactions energy: -71.143
where: short stacking energy: -48.347
Base-Backbone interact. energy: -0.254
local terms energy: -124.739040
where:
bonds (distance) C4'-P energy: -28.252
bonds (distance) P-C4' energy: -36.423
flat angles C4'-P-C4' energy: -32.443
flat angles P-C4'-P energy: -19.955
tors. eta vs tors. theta energy: -7.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -598.842391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.842391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.842391 (E_RNA)
where:
Base-Base interactions energy: -387.100
where: short stacking energy: -165.561
Base-Backbone interact. energy: -2.172
local terms energy: -209.569882
where:
bonds (distance) C4'-P energy: -46.374
bonds (distance) P-C4' energy: -42.089
flat angles C4'-P-C4' energy: -44.692
flat angles P-C4'-P energy: -29.171
tors. eta vs tors. theta energy: -47.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -608.848781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.848781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.848781 (E_RNA)
where:
Base-Base interactions energy: -404.443
where: short stacking energy: -178.076
Base-Backbone interact. energy: -0.469
local terms energy: -203.936690
where:
bonds (distance) C4'-P energy: -38.597
bonds (distance) P-C4' energy: -43.217
flat angles C4'-P-C4' energy: -46.869
flat angles P-C4'-P energy: -25.039
tors. eta vs tors. theta energy: -50.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -582.221004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.221004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.221004 (E_RNA)
where:
Base-Base interactions energy: -367.412
where: short stacking energy: -185.991
Base-Backbone interact. energy: 2.315
local terms energy: -217.124187
where:
bonds (distance) C4'-P energy: -36.287
bonds (distance) P-C4' energy: -40.101
flat angles C4'-P-C4' energy: -44.504
flat angles P-C4'-P energy: -33.636
tors. eta vs tors. theta energy: -62.597
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: 2
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -469.186212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.186212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.186212 (E_RNA)
where:
Base-Base interactions energy: -280.529
where: short stacking energy: -138.575
Base-Backbone interact. energy: 0.510
local terms energy: -189.166900
where:
bonds (distance) C4'-P energy: -32.814
bonds (distance) P-C4' energy: -41.830
flat angles C4'-P-C4' energy: -44.520
flat angles P-C4'-P energy: -24.349
tors. eta vs tors. theta energy: -45.654
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: 10
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -439.952862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.952862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.952862 (E_RNA)
where:
Base-Base interactions energy: -264.721
where: short stacking energy: -136.189
Base-Backbone interact. energy: -0.279
local terms energy: -174.953464
where:
bonds (distance) C4'-P energy: -38.577
bonds (distance) P-C4' energy: -37.322
flat angles C4'-P-C4' energy: -37.414
flat angles P-C4'-P energy: -27.315
tors. eta vs tors. theta energy: -34.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -422.167450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.167450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.167450 (E_RNA)
where:
Base-Base interactions energy: -261.686
where: short stacking energy: -129.971
Base-Backbone interact. energy: -0.431
local terms energy: -160.049650
where:
bonds (distance) C4'-P energy: -34.022
bonds (distance) P-C4' energy: -32.244
flat angles C4'-P-C4' energy: -31.339
flat angles P-C4'-P energy: -28.537
tors. eta vs tors. theta energy: -33.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -331.774245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.774245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.774245 (E_RNA)
where:
Base-Base interactions energy: -203.590
where: short stacking energy: -94.626
Base-Backbone interact. energy: -0.850
local terms energy: -127.334277
where:
bonds (distance) C4'-P energy: -40.352
bonds (distance) P-C4' energy: -36.411
flat angles C4'-P-C4' energy: -21.189
flat angles P-C4'-P energy: -15.253
tors. eta vs tors. theta energy: -14.129
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: 1
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -220.242071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.242071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.242071 (E_RNA)
where:
Base-Base interactions energy: -98.393
where: short stacking energy: -55.104
Base-Backbone interact. energy: 0.661
local terms energy: -122.509943
where:
bonds (distance) C4'-P energy: -32.283
bonds (distance) P-C4' energy: -29.654
flat angles C4'-P-C4' energy: -34.213
flat angles P-C4'-P energy: -21.452
tors. eta vs tors. theta energy: -4.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -179.203817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.203817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.203817 (E_RNA)
where:
Base-Base interactions energy: -75.173
where: short stacking energy: -43.185
Base-Backbone interact. energy: -1.174
local terms energy: -102.857756
where:
bonds (distance) C4'-P energy: -23.437
bonds (distance) P-C4' energy: -37.130
flat angles C4'-P-C4' energy: -34.805
flat angles P-C4'-P energy: -15.783
tors. eta vs tors. theta energy: 8.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -186.116037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.116037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.116037 (E_RNA)
where:
Base-Base interactions energy: -61.639
where: short stacking energy: -43.571
Base-Backbone interact. energy: -0.098
local terms energy: -124.379641
where:
bonds (distance) C4'-P energy: -39.867
bonds (distance) P-C4' energy: -38.691
flat angles C4'-P-C4' energy: -24.404
flat angles P-C4'-P energy: -23.331
tors. eta vs tors. theta energy: 1.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -619.033647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.033647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.033647 (E_RNA)
where:
Base-Base interactions energy: -402.995
where: short stacking energy: -188.879
Base-Backbone interact. energy: -0.541
local terms energy: -215.498351
where:
bonds (distance) C4'-P energy: -42.551
bonds (distance) P-C4' energy: -37.254
flat angles C4'-P-C4' energy: -49.851
flat angles P-C4'-P energy: -31.003
tors. eta vs tors. theta energy: -54.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -586.091037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.091037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.091037 (E_RNA)
where:
Base-Base interactions energy: -383.883
where: short stacking energy: -156.577
Base-Backbone interact. energy: -1.731
local terms energy: -200.477443
where:
bonds (distance) C4'-P energy: -39.498
bonds (distance) P-C4' energy: -40.636
flat angles C4'-P-C4' energy: -41.261
flat angles P-C4'-P energy: -36.088
tors. eta vs tors. theta energy: -42.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -587.319797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.319797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.319797 (E_RNA)
where:
Base-Base interactions energy: -380.845
where: short stacking energy: -184.807
Base-Backbone interact. energy: -0.367
local terms energy: -206.107913
where:
bonds (distance) C4'-P energy: -44.230
bonds (distance) P-C4' energy: -32.231
flat angles C4'-P-C4' energy: -40.868
flat angles P-C4'-P energy: -30.596
tors. eta vs tors. theta energy: -58.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -487.688038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.688038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.688038 (E_RNA)
where:
Base-Base interactions energy: -305.081
where: short stacking energy: -145.865
Base-Backbone interact. energy: -0.069
local terms energy: -182.537688
where:
bonds (distance) C4'-P energy: -27.215
bonds (distance) P-C4' energy: -30.686
flat angles C4'-P-C4' energy: -45.808
flat angles P-C4'-P energy: -28.885
tors. eta vs tors. theta energy: -49.944
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: 6
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -482.768801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.768801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.768801 (E_RNA)
where:
Base-Base interactions energy: -301.952
where: short stacking energy: -156.480
Base-Backbone interact. energy: 0.424
local terms energy: -181.240476
where:
bonds (distance) C4'-P energy: -36.531
bonds (distance) P-C4' energy: -36.300
flat angles C4'-P-C4' energy: -35.268
flat angles P-C4'-P energy: -28.781
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: 6, replica: 10
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -423.057078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.057078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.057078 (E_RNA)
where:
Base-Base interactions energy: -252.900
where: short stacking energy: -135.596
Base-Backbone interact. energy: -0.998
local terms energy: -169.159568
where:
bonds (distance) C4'-P energy: -35.888
bonds (distance) P-C4' energy: -38.451
flat angles C4'-P-C4' energy: -40.414
flat angles P-C4'-P energy: -17.768
tors. eta vs tors. theta energy: -36.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -334.174454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.174454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.174454 (E_RNA)
where:
Base-Base interactions energy: -180.409
where: short stacking energy: -99.791
Base-Backbone interact. energy: 0.323
local terms energy: -154.088044
where:
bonds (distance) C4'-P energy: -33.920
bonds (distance) P-C4' energy: -35.159
flat angles C4'-P-C4' energy: -44.534
flat angles P-C4'-P energy: -16.907
tors. eta vs tors. theta energy: -23.568
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: 1
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -221.099228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.099228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.099228 (E_RNA)
where:
Base-Base interactions energy: -100.726
where: short stacking energy: -72.676
Base-Backbone interact. energy: -0.920
local terms energy: -119.453754
where:
bonds (distance) C4'-P energy: -27.508
bonds (distance) P-C4' energy: -39.791
flat angles C4'-P-C4' energy: -24.162
flat angles P-C4'-P energy: -18.630
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: 9, replica: 5
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -186.680310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.680310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.680310 (E_RNA)
where:
Base-Base interactions energy: -84.384
where: short stacking energy: -62.863
Base-Backbone interact. energy: -0.476
local terms energy: -101.819701
where:
bonds (distance) C4'-P energy: -25.756
bonds (distance) P-C4' energy: -39.911
flat angles C4'-P-C4' energy: -30.565
flat angles P-C4'-P energy: -10.537
tors. eta vs tors. theta energy: 4.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -174.922098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.922098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.922098 (E_RNA)
where:
Base-Base interactions energy: -67.055
where: short stacking energy: -57.013
Base-Backbone interact. energy: -0.676
local terms energy: -107.191748
where:
bonds (distance) C4'-P energy: -28.677
bonds (distance) P-C4' energy: -30.853
flat angles C4'-P-C4' energy: -30.880
flat angles P-C4'-P energy: -9.641
tors. eta vs tors. theta energy: -7.141
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: 9
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -612.945078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.945078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.945078 (E_RNA)
where:
Base-Base interactions energy: -409.013
where: short stacking energy: -172.877
Base-Backbone interact. energy: -1.237
local terms energy: -202.694736
where:
bonds (distance) C4'-P energy: -43.383
bonds (distance) P-C4' energy: -35.130
flat angles C4'-P-C4' energy: -44.986
flat angles P-C4'-P energy: -25.870
tors. eta vs tors. theta energy: -53.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -613.501717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.501717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.501717 (E_RNA)
where:
Base-Base interactions energy: -407.889
where: short stacking energy: -185.085
Base-Backbone interact. energy: -0.384
local terms energy: -205.228206
where:
bonds (distance) C4'-P energy: -37.836
bonds (distance) P-C4' energy: -41.297
flat angles C4'-P-C4' energy: -42.163
flat angles P-C4'-P energy: -29.822
tors. eta vs tors. theta energy: -54.110
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: 3, replica: 4
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -579.055029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.055029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.055029 (E_RNA)
where:
Base-Base interactions energy: -378.714
where: short stacking energy: -169.309
Base-Backbone interact. energy: -2.242
local terms energy: -198.098976
where:
bonds (distance) C4'-P energy: -44.562
bonds (distance) P-C4' energy: -34.477
flat angles C4'-P-C4' energy: -40.973
flat angles P-C4'-P energy: -27.824
tors. eta vs tors. theta energy: -50.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -556.543205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.543205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.543205 (E_RNA)
where:
Base-Base interactions energy: -361.439
where: short stacking energy: -177.480
Base-Backbone interact. energy: -0.951
local terms energy: -194.153489
where:
bonds (distance) C4'-P energy: -34.821
bonds (distance) P-C4' energy: -38.926
flat angles C4'-P-C4' energy: -42.910
flat angles P-C4'-P energy: -23.214
tors. eta vs tors. theta energy: -54.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -473.709090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.709090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.709090 (E_RNA)
where:
Base-Base interactions energy: -298.317
where: short stacking energy: -144.285
Base-Backbone interact. energy: 0.699
local terms energy: -176.091616
where:
bonds (distance) C4'-P energy: -30.592
bonds (distance) P-C4' energy: -39.717
flat angles C4'-P-C4' energy: -40.365
flat angles P-C4'-P energy: -24.704
tors. eta vs tors. theta energy: -40.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -426.516367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.516367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.516367 (E_RNA)
where:
Base-Base interactions energy: -258.481
where: short stacking energy: -125.793
Base-Backbone interact. energy: -0.386
local terms energy: -167.649475
where:
bonds (distance) C4'-P energy: -32.226
bonds (distance) P-C4' energy: -40.251
flat angles C4'-P-C4' energy: -38.338
flat angles P-C4'-P energy: -23.156
tors. eta vs tors. theta energy: -33.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -340.978698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.978698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.978698 (E_RNA)
where:
Base-Base interactions energy: -180.016
where: short stacking energy: -113.087
Base-Backbone interact. energy: -0.596
local terms energy: -160.366250
where:
bonds (distance) C4'-P energy: -35.026
bonds (distance) P-C4' energy: -32.779
flat angles C4'-P-C4' energy: -42.524
flat angles P-C4'-P energy: -27.291
tors. eta vs tors. theta energy: -22.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -211.381840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.381840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.381840 (E_RNA)
where:
Base-Base interactions energy: -75.883
where: short stacking energy: -60.559
Base-Backbone interact. energy: -1.424
local terms energy: -134.074406
where:
bonds (distance) C4'-P energy: -29.659
bonds (distance) P-C4' energy: -30.252
flat angles C4'-P-C4' energy: -38.180
flat angles P-C4'-P energy: -22.258
tors. eta vs tors. theta energy: -13.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -196.802665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.802665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.802665 (E_RNA)
where:
Base-Base interactions energy: -75.565
where: short stacking energy: -55.615
Base-Backbone interact. energy: -0.954
local terms energy: -120.283940
where:
bonds (distance) C4'-P energy: -27.667
bonds (distance) P-C4' energy: -34.578
flat angles C4'-P-C4' energy: -40.725
flat angles P-C4'-P energy: -14.837
tors. eta vs tors. theta energy: -2.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -165.248622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.248622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.248622 (E_RNA)
where:
Base-Base interactions energy: -51.301
where: short stacking energy: -48.097
Base-Backbone interact. energy: -0.707
local terms energy: -113.240907
where:
bonds (distance) C4'-P energy: -29.625
bonds (distance) P-C4' energy: -40.388
flat angles C4'-P-C4' energy: -24.390
flat angles P-C4'-P energy: -15.387
tors. eta vs tors. theta energy: -3.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -618.118821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.118821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.118821 (E_RNA)
where:
Base-Base interactions energy: -404.086
where: short stacking energy: -200.582
Base-Backbone interact. energy: -0.485
local terms energy: -213.548229
where:
bonds (distance) C4'-P energy: -41.039
bonds (distance) P-C4' energy: -41.303
flat angles C4'-P-C4' energy: -43.938
flat angles P-C4'-P energy: -31.536
tors. eta vs tors. theta energy: -55.732
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: 9
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -603.252815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.252815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.252815 (E_RNA)
where:
Base-Base interactions energy: -396.962
where: short stacking energy: -164.775
Base-Backbone interact. energy: -0.688
local terms energy: -205.603472
where:
bonds (distance) C4'-P energy: -42.032
bonds (distance) P-C4' energy: -44.091
flat angles C4'-P-C4' energy: -39.263
flat angles P-C4'-P energy: -30.142
tors. eta vs tors. theta energy: -50.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -555.523029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.523029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.523029 (E_RNA)
where:
Base-Base interactions energy: -380.030
where: short stacking energy: -163.254
Base-Backbone interact. energy: -0.053
local terms energy: -175.439261
where:
bonds (distance) C4'-P energy: -38.253
bonds (distance) P-C4' energy: -34.548
flat angles C4'-P-C4' energy: -39.322
flat angles P-C4'-P energy: -21.379
tors. eta vs tors. theta energy: -41.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -594.401177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.401177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.401177 (E_RNA)
where:
Base-Base interactions energy: -393.595
where: short stacking energy: -181.827
Base-Backbone interact. energy: -0.798
local terms energy: -200.008817
where:
bonds (distance) C4'-P energy: -29.029
bonds (distance) P-C4' energy: -39.079
flat angles C4'-P-C4' energy: -44.395
flat angles P-C4'-P energy: -28.091
tors. eta vs tors. theta energy: -59.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -464.484280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.484280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.484280 (E_RNA)
where:
Base-Base interactions energy: -283.299
where: short stacking energy: -128.466
Base-Backbone interact. energy: 0.344
local terms energy: -181.529490
where:
bonds (distance) C4'-P energy: -38.044
bonds (distance) P-C4' energy: -43.081
flat angles C4'-P-C4' energy: -37.316
flat angles P-C4'-P energy: -24.174
tors. eta vs tors. theta energy: -38.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -455.734187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.734187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.734187 (E_RNA)
where:
Base-Base interactions energy: -284.681
where: short stacking energy: -141.248
Base-Backbone interact. energy: -0.171
local terms energy: -170.882058
where:
bonds (distance) C4'-P energy: -32.410
bonds (distance) P-C4' energy: -38.350
flat angles C4'-P-C4' energy: -37.511
flat angles P-C4'-P energy: -21.165
tors. eta vs tors. theta energy: -41.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -350.282533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.282533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.282533 (E_RNA)
where:
Base-Base interactions energy: -199.083
where: short stacking energy: -109.920
Base-Backbone interact. energy: -1.238
local terms energy: -149.961261
where:
bonds (distance) C4'-P energy: -32.592
bonds (distance) P-C4' energy: -35.425
flat angles C4'-P-C4' energy: -39.097
flat angles P-C4'-P energy: -20.684
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: 8, replica: 5
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -215.845746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.845746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.845746 (E_RNA)
where:
Base-Base interactions energy: -75.991
where: short stacking energy: -63.262
Base-Backbone interact. energy: -1.728
local terms energy: -138.126677
where:
bonds (distance) C4'-P energy: -34.093
bonds (distance) P-C4' energy: -37.293
flat angles C4'-P-C4' energy: -29.747
flat angles P-C4'-P energy: -25.985
tors. eta vs tors. theta energy: -11.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -176.738100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.738100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.738100 (E_RNA)
where:
Base-Base interactions energy: -56.872
where: short stacking energy: -50.930
Base-Backbone interact. energy: -0.858
local terms energy: -119.007399
where:
bonds (distance) C4'-P energy: -31.274
bonds (distance) P-C4' energy: -38.809
flat angles C4'-P-C4' energy: -28.158
flat angles P-C4'-P energy: -24.350
tors. eta vs tors. theta energy: 3.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -167.669934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.669934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.669934 (E_RNA)
where:
Base-Base interactions energy: -47.699
where: short stacking energy: -42.490
Base-Backbone interact. energy: -0.215
local terms energy: -119.755969
where:
bonds (distance) C4'-P energy: -38.683
bonds (distance) P-C4' energy: -39.790
flat angles C4'-P-C4' energy: -28.794
flat angles P-C4'-P energy: -18.274
tors. eta vs tors. theta energy: 5.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -626.218048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.218048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.218048 (E_RNA)
where:
Base-Base interactions energy: -416.840
where: short stacking energy: -200.551
Base-Backbone interact. energy: -0.417
local terms energy: -208.961100
where:
bonds (distance) C4'-P energy: -36.809
bonds (distance) P-C4' energy: -37.003
flat angles C4'-P-C4' energy: -40.504
flat angles P-C4'-P energy: -30.860
tors. eta vs tors. theta energy: -63.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -600.006749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.006749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.006749 (E_RNA)
where:
Base-Base interactions energy: -406.187
where: short stacking energy: -154.342
Base-Backbone interact. energy: -1.803
local terms energy: -192.017363
where:
bonds (distance) C4'-P energy: -39.742
bonds (distance) P-C4' energy: -39.707
flat angles C4'-P-C4' energy: -44.123
flat angles P-C4'-P energy: -24.920
tors. eta vs tors. theta energy: -43.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -560.951264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.951264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.951264 (E_RNA)
where:
Base-Base interactions energy: -358.908
where: short stacking energy: -166.908
Base-Backbone interact. energy: -0.765
local terms energy: -201.278758
where:
bonds (distance) C4'-P energy: -39.319
bonds (distance) P-C4' energy: -39.482
flat angles C4'-P-C4' energy: -43.472
flat angles P-C4'-P energy: -30.241
tors. eta vs tors. theta energy: -48.765
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: 6
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -554.871540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.871540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.871540 (E_RNA)
where:
Base-Base interactions energy: -359.018
where: short stacking energy: -157.557
Base-Backbone interact. energy: -1.113
local terms energy: -194.741133
where:
bonds (distance) C4'-P energy: -36.303
bonds (distance) P-C4' energy: -44.377
flat angles C4'-P-C4' energy: -41.723
flat angles P-C4'-P energy: -26.039
tors. eta vs tors. theta energy: -46.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -468.515223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.515223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.515223 (E_RNA)
where:
Base-Base interactions energy: -301.908
where: short stacking energy: -154.841
Base-Backbone interact. energy: -0.514
local terms energy: -166.093610
where:
bonds (distance) C4'-P energy: -33.525
bonds (distance) P-C4' energy: -31.740
flat angles C4'-P-C4' energy: -38.728
flat angles P-C4'-P energy: -16.806
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: 6, replica: 10
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -399.849623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.849623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.849623 (E_RNA)
where:
Base-Base interactions energy: -240.447
where: short stacking energy: -135.248
Base-Backbone interact. energy: -0.189
local terms energy: -159.213837
where:
bonds (distance) C4'-P energy: -32.806
bonds (distance) P-C4' energy: -30.388
flat angles C4'-P-C4' energy: -43.225
flat angles P-C4'-P energy: -17.800
tors. eta vs tors. theta energy: -34.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -330.538268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.538268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.538268 (E_RNA)
where:
Base-Base interactions energy: -190.599
where: short stacking energy: -104.018
Base-Backbone interact. energy: -0.500
local terms energy: -139.438879
where:
bonds (distance) C4'-P energy: -31.674
bonds (distance) P-C4' energy: -29.826
flat angles C4'-P-C4' energy: -41.444
flat angles P-C4'-P energy: -23.583
tors. eta vs tors. theta energy: -12.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -202.512668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.512668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.512668 (E_RNA)
where:
Base-Base interactions energy: -78.783
where: short stacking energy: -49.297
Base-Backbone interact. energy: -0.997
local terms energy: -122.732997
where:
bonds (distance) C4'-P energy: -24.820
bonds (distance) P-C4' energy: -34.198
flat angles C4'-P-C4' energy: -39.796
flat angles P-C4'-P energy: -22.661
tors. eta vs tors. theta energy: -1.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -186.742841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.742841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.742841 (E_RNA)
where:
Base-Base interactions energy: -72.491
where: short stacking energy: -60.632
Base-Backbone interact. energy: -0.496
local terms energy: -113.756060
where:
bonds (distance) C4'-P energy: -34.543
bonds (distance) P-C4' energy: -27.890
flat angles C4'-P-C4' energy: -28.061
flat angles P-C4'-P energy: -19.330
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: 10, replica: 1
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -179.006679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.006679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.006679 (E_RNA)
where:
Base-Base interactions energy: -65.139
where: short stacking energy: -40.661
Base-Backbone interact. energy: 1.194
local terms energy: -115.062144
where:
bonds (distance) C4'-P energy: -26.816
bonds (distance) P-C4' energy: -32.846
flat angles C4'-P-C4' energy: -29.805
flat angles P-C4'-P energy: -25.038
tors. eta vs tors. theta energy: -0.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -602.842773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.842773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.842773 (E_RNA)
where:
Base-Base interactions energy: -401.851
where: short stacking energy: -156.515
Base-Backbone interact. energy: -0.927
local terms energy: -200.065191
where:
bonds (distance) C4'-P energy: -39.620
bonds (distance) P-C4' energy: -41.274
flat angles C4'-P-C4' energy: -41.256
flat angles P-C4'-P energy: -33.601
tors. eta vs tors. theta energy: -44.314
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: 2, replica: 8
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -601.379163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.379163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.379163 (E_RNA)
where:
Base-Base interactions energy: -394.801
where: short stacking energy: -198.611
Base-Backbone interact. energy: -0.099
local terms energy: -206.479875
where:
bonds (distance) C4'-P energy: -39.610
bonds (distance) P-C4' energy: -37.203
flat angles C4'-P-C4' energy: -41.228
flat angles P-C4'-P energy: -30.101
tors. eta vs tors. theta energy: -58.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -590.568507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.568507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.568507 (E_RNA)
where:
Base-Base interactions energy: -392.639
where: short stacking energy: -185.060
Base-Backbone interact. energy: 1.287
local terms energy: -199.216472
where:
bonds (distance) C4'-P energy: -35.933
bonds (distance) P-C4' energy: -41.169
flat angles C4'-P-C4' energy: -43.562
flat angles P-C4'-P energy: -28.147
tors. eta vs tors. theta energy: -50.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -542.168193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.168193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.168193 (E_RNA)
where:
Base-Base interactions energy: -360.815
where: short stacking energy: -163.716
Base-Backbone interact. energy: -0.266
local terms energy: -181.087785
where:
bonds (distance) C4'-P energy: -31.138
bonds (distance) P-C4' energy: -38.682
flat angles C4'-P-C4' energy: -39.373
flat angles P-C4'-P energy: -24.272
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: 5, replica: 2
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -452.277057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.277057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.277057 (E_RNA)
where:
Base-Base interactions energy: -288.003
where: short stacking energy: -133.162
Base-Backbone interact. energy: -0.237
local terms energy: -164.037175
where:
bonds (distance) C4'-P energy: -38.440
bonds (distance) P-C4' energy: -32.749
flat angles C4'-P-C4' energy: -38.380
flat angles P-C4'-P energy: -20.944
tors. eta vs tors. theta energy: -33.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -386.068909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.068909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.068909 (E_RNA)
where:
Base-Base interactions energy: -225.658
where: short stacking energy: -122.359
Base-Backbone interact. energy: 1.975
local terms energy: -162.386721
where:
bonds (distance) C4'-P energy: -37.144
bonds (distance) P-C4' energy: -39.009
flat angles C4'-P-C4' energy: -38.050
flat angles P-C4'-P energy: -19.363
tors. eta vs tors. theta energy: -28.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -346.512804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.512804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.512804 (E_RNA)
where:
Base-Base interactions energy: -198.003
where: short stacking energy: -112.909
Base-Backbone interact. energy: -0.127
local terms energy: -148.382922
where:
bonds (distance) C4'-P energy: -35.499
bonds (distance) P-C4' energy: -31.576
flat angles C4'-P-C4' energy: -30.871
flat angles P-C4'-P energy: -23.972
tors. eta vs tors. theta energy: -26.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -201.109507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.109507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.109507 (E_RNA)
where:
Base-Base interactions energy: -69.203
where: short stacking energy: -57.747
Base-Backbone interact. energy: 1.026
local terms energy: -132.932547
where:
bonds (distance) C4'-P energy: -38.364
bonds (distance) P-C4' energy: -38.729
flat angles C4'-P-C4' energy: -22.290
flat angles P-C4'-P energy: -27.623
tors. eta vs tors. theta energy: -5.927
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: 9, replica: 5
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -171.630645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.630645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.630645 (E_RNA)
where:
Base-Base interactions energy: -51.684
where: short stacking energy: -44.406
Base-Backbone interact. energy: -0.310
local terms energy: -119.636544
where:
bonds (distance) C4'-P energy: -30.080
bonds (distance) P-C4' energy: -35.452
flat angles C4'-P-C4' energy: -27.664
flat angles P-C4'-P energy: -15.249
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: 10, replica: 1
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -171.708754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.708754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.708754 (E_RNA)
where:
Base-Base interactions energy: -61.874
where: short stacking energy: -32.921
Base-Backbone interact. energy: -1.540
local terms energy: -108.294898
where:
bonds (distance) C4'-P energy: -36.114
bonds (distance) P-C4' energy: -34.219
flat angles C4'-P-C4' energy: -36.880
flat angles P-C4'-P energy: -11.995
tors. eta vs tors. theta energy: 10.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -596.718141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.718141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.718141 (E_RNA)
where:
Base-Base interactions energy: -398.719
where: short stacking energy: -157.586
Base-Backbone interact. energy: -1.678
local terms energy: -196.320702
where:
bonds (distance) C4'-P energy: -33.348
bonds (distance) P-C4' energy: -42.031
flat angles C4'-P-C4' energy: -43.459
flat angles P-C4'-P energy: -34.201
tors. eta vs tors. theta energy: -43.281
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: 2, replica: 8
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -607.905587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.905587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.905587 (E_RNA)
where:
Base-Base interactions energy: -388.412
where: short stacking energy: -178.091
Base-Backbone interact. energy: -0.252
local terms energy: -219.241240
where:
bonds (distance) C4'-P energy: -38.547
bonds (distance) P-C4' energy: -43.153
flat angles C4'-P-C4' energy: -44.101
flat angles P-C4'-P energy: -36.823
tors. eta vs tors. theta energy: -56.617
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: 6
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -599.987129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.987129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.987129 (E_RNA)
where:
Base-Base interactions energy: -401.818
where: short stacking energy: -174.936
Base-Backbone interact. energy: -0.721
local terms energy: -197.447990
where:
bonds (distance) C4'-P energy: -38.250
bonds (distance) P-C4' energy: -37.925
flat angles C4'-P-C4' energy: -41.400
flat angles P-C4'-P energy: -28.963
tors. eta vs tors. theta energy: -50.911
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: 4, replica: 4
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -499.195701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.195701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.195701 (E_RNA)
where:
Base-Base interactions energy: -325.832
where: short stacking energy: -158.089
Base-Backbone interact. energy: -0.963
local terms energy: -172.401369
where:
bonds (distance) C4'-P energy: -38.656
bonds (distance) P-C4' energy: -35.641
flat angles C4'-P-C4' energy: -32.695
flat angles P-C4'-P energy: -23.704
tors. eta vs tors. theta energy: -41.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -450.636330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.636330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.636330 (E_RNA)
where:
Base-Base interactions energy: -287.582
where: short stacking energy: -126.421
Base-Backbone interact. energy: 2.524
local terms energy: -165.578813
where:
bonds (distance) C4'-P energy: -33.169
bonds (distance) P-C4' energy: -30.399
flat angles C4'-P-C4' energy: -39.184
flat angles P-C4'-P energy: -25.738
tors. eta vs tors. theta energy: -37.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -415.403163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.403163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.403163 (E_RNA)
where:
Base-Base interactions energy: -246.878
where: short stacking energy: -136.278
Base-Backbone interact. energy: 0.174
local terms energy: -168.699442
where:
bonds (distance) C4'-P energy: -30.020
bonds (distance) P-C4' energy: -39.161
flat angles C4'-P-C4' energy: -39.123
flat angles P-C4'-P energy: -26.115
tors. eta vs tors. theta energy: -34.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -336.397491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.397491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.397491 (E_RNA)
where:
Base-Base interactions energy: -177.569
where: short stacking energy: -100.947
Base-Backbone interact. energy: -0.441
local terms energy: -158.387378
where:
bonds (distance) C4'-P energy: -38.473
bonds (distance) P-C4' energy: -38.408
flat angles C4'-P-C4' energy: -30.333
flat angles P-C4'-P energy: -28.302
tors. eta vs tors. theta energy: -22.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -208.620877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.620877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.620877 (E_RNA)
where:
Base-Base interactions energy: -82.081
where: short stacking energy: -60.251
Base-Backbone interact. energy: 0.391
local terms energy: -126.931035
where:
bonds (distance) C4'-P energy: -42.691
bonds (distance) P-C4' energy: -32.278
flat angles C4'-P-C4' energy: -25.718
flat angles P-C4'-P energy: -20.372
tors. eta vs tors. theta energy: -5.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -183.642114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.642114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.642114 (E_RNA)
where:
Base-Base interactions energy: -61.392
where: short stacking energy: -43.292
Base-Backbone interact. energy: 0.705
local terms energy: -122.955477
where:
bonds (distance) C4'-P energy: -34.130
bonds (distance) P-C4' energy: -36.162
flat angles C4'-P-C4' energy: -29.885
flat angles P-C4'-P energy: -28.513
tors. eta vs tors. theta energy: 5.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -165.840885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.840885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.840885 (E_RNA)
where:
Base-Base interactions energy: -63.330
where: short stacking energy: -47.942
Base-Backbone interact. energy: -1.688
local terms energy: -100.822788
where:
bonds (distance) C4'-P energy: -38.764
bonds (distance) P-C4' energy: -39.594
flat angles C4'-P-C4' energy: -21.401
flat angles P-C4'-P energy: -3.993
tors. eta vs tors. theta energy: 2.930
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: 9
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -605.550182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.550182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.550182 (E_RNA)
where:
Base-Base interactions energy: -402.813
where: short stacking energy: -167.882
Base-Backbone interact. energy: -1.430
local terms energy: -201.307878
where:
bonds (distance) C4'-P energy: -42.862
bonds (distance) P-C4' energy: -38.346
flat angles C4'-P-C4' energy: -41.914
flat angles P-C4'-P energy: -29.104
tors. eta vs tors. theta energy: -49.082
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: 8
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -596.578330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.578330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.578330 (E_RNA)
where:
Base-Base interactions energy: -382.837
where: short stacking energy: -185.982
Base-Backbone interact. energy: 1.693
local terms energy: -215.434506
where:
bonds (distance) C4'-P energy: -39.547
bonds (distance) P-C4' energy: -42.457
flat angles C4'-P-C4' energy: -41.399
flat angles P-C4'-P energy: -35.916
tors. eta vs tors. theta energy: -56.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -616.726720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.726720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.726720 (E_RNA)
where:
Base-Base interactions energy: -405.038
where: short stacking energy: -198.407
Base-Backbone interact. energy: -0.518
local terms energy: -211.170918
where:
bonds (distance) C4'-P energy: -38.745
bonds (distance) P-C4' energy: -42.545
flat angles C4'-P-C4' energy: -43.569
flat angles P-C4'-P energy: -27.599
tors. eta vs tors. theta energy: -58.713
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: 4
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -505.726263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.726263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.726263 (E_RNA)
where:
Base-Base interactions energy: -322.536
where: short stacking energy: -147.252
Base-Backbone interact. energy: 0.249
local terms energy: -183.439257
where:
bonds (distance) C4'-P energy: -38.044
bonds (distance) P-C4' energy: -37.939
flat angles C4'-P-C4' energy: -37.734
flat angles P-C4'-P energy: -23.563
tors. eta vs tors. theta energy: -46.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -423.361280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.361280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.361280 (E_RNA)
where:
Base-Base interactions energy: -240.259
where: short stacking energy: -131.721
Base-Backbone interact. energy: -1.549
local terms energy: -181.553593
where:
bonds (distance) C4'-P energy: -38.890
bonds (distance) P-C4' energy: -36.454
flat angles C4'-P-C4' energy: -40.883
flat angles P-C4'-P energy: -26.384
tors. eta vs tors. theta energy: -38.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -404.570980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.570980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.570980 (E_RNA)
where:
Base-Base interactions energy: -241.212
where: short stacking energy: -105.686
Base-Backbone interact. energy: -2.415
local terms energy: -160.943839
where:
bonds (distance) C4'-P energy: -41.616
bonds (distance) P-C4' energy: -41.498
flat angles C4'-P-C4' energy: -42.560
flat angles P-C4'-P energy: -15.179
tors. eta vs tors. theta energy: -20.091
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: 7
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -321.739503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.739503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.739503 (E_RNA)
where:
Base-Base interactions energy: -175.178
where: short stacking energy: -86.957
Base-Backbone interact. energy: -0.462
local terms energy: -146.098954
where:
bonds (distance) C4'-P energy: -38.805
bonds (distance) P-C4' energy: -41.483
flat angles C4'-P-C4' energy: -36.885
flat angles P-C4'-P energy: -19.608
tors. eta vs tors. theta energy: -9.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -199.792912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.792912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.792912 (E_RNA)
where:
Base-Base interactions energy: -74.001
where: short stacking energy: -49.091
Base-Backbone interact. energy: -0.166
local terms energy: -125.626333
where:
bonds (distance) C4'-P energy: -33.386
bonds (distance) P-C4' energy: -38.198
flat angles C4'-P-C4' energy: -38.019
flat angles P-C4'-P energy: -17.703
tors. eta vs tors. theta energy: 1.680
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: 76
Temperature: 1.300000
Total energy: -198.867810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.867810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.867810 (E_RNA)
where:
Base-Base interactions energy: -82.567
where: short stacking energy: -51.737
Base-Backbone interact. energy: 0.586
local terms energy: -116.886854
where:
bonds (distance) C4'-P energy: -39.392
bonds (distance) P-C4' energy: -35.310
flat angles C4'-P-C4' energy: -23.838
flat angles P-C4'-P energy: -18.362
tors. eta vs tors. theta energy: 0.015
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: 10, replica: 3
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -199.210472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.210472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.210472 (E_RNA)
where:
Base-Base interactions energy: -56.751
where: short stacking energy: -44.627
Base-Backbone interact. energy: -0.433
local terms energy: -142.026946
where:
bonds (distance) C4'-P energy: -33.952
bonds (distance) P-C4' energy: -40.537
flat angles C4'-P-C4' energy: -24.756
flat angles P-C4'-P energy: -32.947
tors. eta vs tors. theta energy: -9.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -616.257656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.257656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.257656 (E_RNA)
where:
Base-Base interactions energy: -413.117
where: short stacking energy: -180.665
Base-Backbone interact. energy: -1.897
local terms energy: -201.242824
where:
bonds (distance) C4'-P energy: -43.845
bonds (distance) P-C4' energy: -33.646
flat angles C4'-P-C4' energy: -41.858
flat angles P-C4'-P energy: -28.719
tors. eta vs tors. theta energy: -53.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -626.862330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.862330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.862330 (E_RNA)
where:
Base-Base interactions energy: -419.387
where: short stacking energy: -192.091
Base-Backbone interact. energy: 1.005
local terms energy: -208.480415
where:
bonds (distance) C4'-P energy: -36.835
bonds (distance) P-C4' energy: -37.641
flat angles C4'-P-C4' energy: -42.129
flat angles P-C4'-P energy: -35.688
tors. eta vs tors. theta energy: -56.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -595.066586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.066586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.066586 (E_RNA)
where:
Base-Base interactions energy: -383.644
where: short stacking energy: -196.186
Base-Backbone interact. energy: -1.061
local terms energy: -210.361600
where:
bonds (distance) C4'-P energy: -36.562
bonds (distance) P-C4' energy: -44.381
flat angles C4'-P-C4' energy: -42.133
flat angles P-C4'-P energy: -27.084
tors. eta vs tors. theta energy: -60.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -517.452951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.452951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.452951 (E_RNA)
where:
Base-Base interactions energy: -333.719
where: short stacking energy: -133.056
Base-Backbone interact. energy: 0.046
local terms energy: -183.780213
where:
bonds (distance) C4'-P energy: -31.679
bonds (distance) P-C4' energy: -34.593
flat angles C4'-P-C4' energy: -39.817
flat angles P-C4'-P energy: -29.253
tors. eta vs tors. theta energy: -48.437
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: 10
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -434.272749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.272749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.272749 (E_RNA)
where:
Base-Base interactions energy: -272.299
where: short stacking energy: -149.445
Base-Backbone interact. energy: -0.958
local terms energy: -161.016222
where:
bonds (distance) C4'-P energy: -33.514
bonds (distance) P-C4' energy: -34.952
flat angles C4'-P-C4' energy: -35.122
flat angles P-C4'-P energy: -22.292
tors. eta vs tors. theta energy: -35.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -377.399019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.399019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.399019 (E_RNA)
where:
Base-Base interactions energy: -214.103
where: short stacking energy: -111.437
Base-Backbone interact. energy: -0.487
local terms energy: -162.808740
where:
bonds (distance) C4'-P energy: -29.965
bonds (distance) P-C4' energy: -38.232
flat angles C4'-P-C4' energy: -40.831
flat angles P-C4'-P energy: -24.166
tors. eta vs tors. theta energy: -29.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -378.285303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.285303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.285303 (E_RNA)
where:
Base-Base interactions energy: -232.255
where: short stacking energy: -123.909
Base-Backbone interact. energy: -1.024
local terms energy: -145.006142
where:
bonds (distance) C4'-P energy: -18.943
bonds (distance) P-C4' energy: -38.185
flat angles C4'-P-C4' energy: -35.529
flat angles P-C4'-P energy: -26.918
tors. eta vs tors. theta energy: -25.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -188.015970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.015970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.015970 (E_RNA)
where:
Base-Base interactions energy: -57.188
where: short stacking energy: -48.060
Base-Backbone interact. energy: -0.942
local terms energy: -129.885739
where:
bonds (distance) C4'-P energy: -32.979
bonds (distance) P-C4' energy: -27.375
flat angles C4'-P-C4' energy: -38.525
flat angles P-C4'-P energy: -31.236
tors. eta vs tors. theta energy: 0.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -184.328602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.328602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.328602 (E_RNA)
where:
Base-Base interactions energy: -79.597
where: short stacking energy: -64.438
Base-Backbone interact. energy: -0.385
local terms energy: -104.346167
where:
bonds (distance) C4'-P energy: -27.478
bonds (distance) P-C4' energy: -36.031
flat angles C4'-P-C4' energy: -19.275
flat angles P-C4'-P energy: -21.713
tors. eta vs tors. theta energy: 0.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -171.784668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.784668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.784668 (E_RNA)
where:
Base-Base interactions energy: -55.889
where: short stacking energy: -52.598
Base-Backbone interact. energy: -0.674
local terms energy: -115.221977
where:
bonds (distance) C4'-P energy: -28.610
bonds (distance) P-C4' energy: -40.831
flat angles C4'-P-C4' energy: -26.706
flat angles P-C4'-P energy: -13.717
tors. eta vs tors. theta energy: -5.358
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: 6
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -641.774378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.774378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.774378 (E_RNA)
where:
Base-Base interactions energy: -428.495
where: short stacking energy: -205.045
Base-Backbone interact. energy: -0.243
local terms energy: -213.036559
where:
bonds (distance) C4'-P energy: -34.551
bonds (distance) P-C4' energy: -42.136
flat angles C4'-P-C4' energy: -45.678
flat angles P-C4'-P energy: -32.060
tors. eta vs tors. theta energy: -58.612
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: 9
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -596.204190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.204190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.204190 (E_RNA)
where:
Base-Base interactions energy: -396.868
where: short stacking energy: -161.509
Base-Backbone interact. energy: -3.918
local terms energy: -195.418501
where:
bonds (distance) C4'-P energy: -34.648
bonds (distance) P-C4' energy: -40.475
flat angles C4'-P-C4' energy: -44.702
flat angles P-C4'-P energy: -23.302
tors. eta vs tors. theta energy: -52.292
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: 78
Temperature: 1.000000
Total energy: -584.613345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.613345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.613345 (E_RNA)
where:
Base-Base interactions energy: -384.309
where: short stacking energy: -184.925
Base-Backbone interact. energy: -0.107
local terms energy: -200.197979
where:
bonds (distance) C4'-P energy: -42.087
bonds (distance) P-C4' energy: -29.605
flat angles C4'-P-C4' energy: -43.954
flat angles P-C4'-P energy: -28.747
tors. eta vs tors. theta energy: -55.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -544.967404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.967404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.967404 (E_RNA)
where:
Base-Base interactions energy: -343.514
where: short stacking energy: -166.531
Base-Backbone interact. energy: -0.515
local terms energy: -200.937882
where:
bonds (distance) C4'-P energy: -34.131
bonds (distance) P-C4' energy: -43.755
flat angles C4'-P-C4' energy: -41.732
flat angles P-C4'-P energy: -33.747
tors. eta vs tors. theta energy: -47.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -423.000489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.000489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.000489 (E_RNA)
where:
Base-Base interactions energy: -254.024
where: short stacking energy: -133.172
Base-Backbone interact. energy: -0.360
local terms energy: -168.615781
where:
bonds (distance) C4'-P energy: -33.096
bonds (distance) P-C4' energy: -36.616
flat angles C4'-P-C4' energy: -35.311
flat angles P-C4'-P energy: -28.361
tors. eta vs tors. theta energy: -35.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -412.786506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.786506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.786506 (E_RNA)
where:
Base-Base interactions energy: -244.737
where: short stacking energy: -123.672
Base-Backbone interact. energy: -0.985
local terms energy: -167.065023
where:
bonds (distance) C4'-P energy: -37.968
bonds (distance) P-C4' energy: -41.339
flat angles C4'-P-C4' energy: -39.536
flat angles P-C4'-P energy: -21.145
tors. eta vs tors. theta energy: -27.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -396.414862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.414862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.414862 (E_RNA)
where:
Base-Base interactions energy: -228.719
where: short stacking energy: -107.346
Base-Backbone interact. energy: 1.157
local terms energy: -168.852659
where:
bonds (distance) C4'-P energy: -41.824
bonds (distance) P-C4' energy: -34.193
flat angles C4'-P-C4' energy: -41.387
flat angles P-C4'-P energy: -26.879
tors. eta vs tors. theta energy: -24.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -190.048090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.048090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.048090 (E_RNA)
where:
Base-Base interactions energy: -68.623
where: short stacking energy: -55.294
Base-Backbone interact. energy: 1.134
local terms energy: -122.558513
where:
bonds (distance) C4'-P energy: -37.512
bonds (distance) P-C4' energy: -34.740
flat angles C4'-P-C4' energy: -31.565
flat angles P-C4'-P energy: -11.885
tors. eta vs tors. theta energy: -6.857
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: 9, replica: 3
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -187.754906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.754906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.754906 (E_RNA)
where:
Base-Base interactions energy: -73.790
where: short stacking energy: -69.036
Base-Backbone interact. energy: 0.071
local terms energy: -114.035584
where:
bonds (distance) C4'-P energy: -26.501
bonds (distance) P-C4' energy: -30.611
flat angles C4'-P-C4' energy: -28.555
flat angles P-C4'-P energy: -21.914
tors. eta vs tors. theta energy: -6.455
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: 1
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -172.484164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.484164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.484164 (E_RNA)
where:
Base-Base interactions energy: -77.035
where: short stacking energy: -48.132
Base-Backbone interact. energy: -0.518
local terms energy: -94.931165
where:
bonds (distance) C4'-P energy: -38.151
bonds (distance) P-C4' energy: -38.186
flat angles C4'-P-C4' energy: -17.177
flat angles P-C4'-P energy: -11.569
tors. eta vs tors. theta energy: 10.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -644.735867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.735867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.735867 (E_RNA)
where:
Base-Base interactions energy: -411.158
where: short stacking energy: -193.988
Base-Backbone interact. energy: 0.294
local terms energy: -233.871376
where:
bonds (distance) C4'-P energy: -44.478
bonds (distance) P-C4' energy: -43.567
flat angles C4'-P-C4' energy: -49.000
flat angles P-C4'-P energy: -32.921
tors. eta vs tors. theta energy: -63.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -632.176654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.176654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.176654 (E_RNA)
where:
Base-Base interactions energy: -426.246
where: short stacking energy: -167.936
Base-Backbone interact. energy: -1.153
local terms energy: -204.778478
where:
bonds (distance) C4'-P energy: -39.814
bonds (distance) P-C4' energy: -42.561
flat angles C4'-P-C4' energy: -39.069
flat angles P-C4'-P energy: -25.919
tors. eta vs tors. theta energy: -57.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -592.241046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.241046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.241046 (E_RNA)
where:
Base-Base interactions energy: -385.487
where: short stacking energy: -192.256
Base-Backbone interact. energy: -0.722
local terms energy: -206.032036
where:
bonds (distance) C4'-P energy: -37.267
bonds (distance) P-C4' energy: -36.838
flat angles C4'-P-C4' energy: -47.292
flat angles P-C4'-P energy: -27.320
tors. eta vs tors. theta energy: -57.314
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: 79
Temperature: 1.050000
Total energy: -516.731893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.731893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.731893 (E_RNA)
where:
Base-Base interactions energy: -341.617
where: short stacking energy: -159.262
Base-Backbone interact. energy: -0.851
local terms energy: -174.263413
where:
bonds (distance) C4'-P energy: -32.382
bonds (distance) P-C4' energy: -33.350
flat angles C4'-P-C4' energy: -39.551
flat angles P-C4'-P energy: -22.797
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: 5, replica: 10
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -392.724107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.724107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.724107 (E_RNA)
where:
Base-Base interactions energy: -221.454
where: short stacking energy: -110.092
Base-Backbone interact. energy: -0.710
local terms energy: -170.560095
where:
bonds (distance) C4'-P energy: -30.610
bonds (distance) P-C4' energy: -42.094
flat angles C4'-P-C4' energy: -37.666
flat angles P-C4'-P energy: -30.656
tors. eta vs tors. theta energy: -29.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -414.453488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.453488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.453488 (E_RNA)
where:
Base-Base interactions energy: -242.068
where: short stacking energy: -117.455
Base-Backbone interact. energy: -0.049
local terms energy: -172.336741
where:
bonds (distance) C4'-P energy: -42.767
bonds (distance) P-C4' energy: -42.121
flat angles C4'-P-C4' energy: -34.884
flat angles P-C4'-P energy: -28.175
tors. eta vs tors. theta energy: -24.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -398.206207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.206207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.206207 (E_RNA)
where:
Base-Base interactions energy: -244.464
where: short stacking energy: -117.648
Base-Backbone interact. energy: 0.272
local terms energy: -154.014135
where:
bonds (distance) C4'-P energy: -30.799
bonds (distance) P-C4' energy: -36.840
flat angles C4'-P-C4' energy: -31.177
flat angles P-C4'-P energy: -23.211
tors. eta vs tors. theta energy: -31.986
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: 3
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -238.114333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.114333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.114333 (E_RNA)
where:
Base-Base interactions energy: -110.673
where: short stacking energy: -57.268
Base-Backbone interact. energy: 1.698
local terms energy: -129.139775
where:
bonds (distance) C4'-P energy: -37.028
bonds (distance) P-C4' energy: -39.356
flat angles C4'-P-C4' energy: -29.084
flat angles P-C4'-P energy: -21.042
tors. eta vs tors. theta energy: -2.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -189.638177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.638177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.638177 (E_RNA)
where:
Base-Base interactions energy: -64.279
where: short stacking energy: -53.147
Base-Backbone interact. energy: -1.370
local terms energy: -123.989206
where:
bonds (distance) C4'-P energy: -32.757
bonds (distance) P-C4' energy: -40.616
flat angles C4'-P-C4' energy: -28.260
flat angles P-C4'-P energy: -24.989
tors. eta vs tors. theta energy: 2.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -178.194793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.194793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.194793 (E_RNA)
where:
Base-Base interactions energy: -63.808
where: short stacking energy: -49.552
Base-Backbone interact. energy: 0.287
local terms energy: -114.673743
where:
bonds (distance) C4'-P energy: -28.835
bonds (distance) P-C4' energy: -34.621
flat angles C4'-P-C4' energy: -30.144
flat angles P-C4'-P energy: -21.878
tors. eta vs tors. theta energy: 0.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -649.099600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.099600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.099600 (E_RNA)
where:
Base-Base interactions energy: -421.582
where: short stacking energy: -200.146
Base-Backbone interact. energy: -0.197
local terms energy: -227.319907
where:
bonds (distance) C4'-P energy: -44.249
bonds (distance) P-C4' energy: -45.796
flat angles C4'-P-C4' energy: -47.501
flat angles P-C4'-P energy: -29.781
tors. eta vs tors. theta energy: -59.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -605.696556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.696556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.696556 (E_RNA)
where:
Base-Base interactions energy: -424.998
where: short stacking energy: -165.333
Base-Backbone interact. energy: -0.636
local terms energy: -180.061939
where:
bonds (distance) C4'-P energy: -33.372
bonds (distance) P-C4' energy: -42.429
flat angles C4'-P-C4' energy: -33.469
flat angles P-C4'-P energy: -23.620
tors. eta vs tors. theta energy: -47.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -585.289501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.289501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.289501 (E_RNA)
where:
Base-Base interactions energy: -384.471
where: short stacking energy: -180.208
Base-Backbone interact. energy: -1.133
local terms energy: -199.684890
where:
bonds (distance) C4'-P energy: -31.258
bonds (distance) P-C4' energy: -43.487
flat angles C4'-P-C4' energy: -41.695
flat angles P-C4'-P energy: -30.959
tors. eta vs tors. theta energy: -52.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -513.559750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.559750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.559750 (E_RNA)
where:
Base-Base interactions energy: -340.154
where: short stacking energy: -156.763
Base-Backbone interact. energy: -0.387
local terms energy: -173.017924
where:
bonds (distance) C4'-P energy: -37.427
bonds (distance) P-C4' energy: -38.449
flat angles C4'-P-C4' energy: -31.571
flat angles P-C4'-P energy: -21.033
tors. eta vs tors. theta energy: -44.537
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: 2
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -435.789251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.789251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.789251 (E_RNA)
where:
Base-Base interactions energy: -253.580
where: short stacking energy: -126.292
Base-Backbone interact. energy: -0.764
local terms energy: -181.445625
where:
bonds (distance) C4'-P energy: -39.473
bonds (distance) P-C4' energy: -40.005
flat angles C4'-P-C4' energy: -45.197
flat angles P-C4'-P energy: -22.339
tors. eta vs tors. theta energy: -34.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -391.452652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.452652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.452652 (E_RNA)
where:
Base-Base interactions energy: -231.465
where: short stacking energy: -132.109
Base-Backbone interact. energy: -0.301
local terms energy: -159.686395
where:
bonds (distance) C4'-P energy: -36.959
bonds (distance) P-C4' energy: -32.733
flat angles C4'-P-C4' energy: -30.543
flat angles P-C4'-P energy: -19.007
tors. eta vs tors. theta energy: -40.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -389.869100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.869100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.869100 (E_RNA)
where:
Base-Base interactions energy: -229.666
where: short stacking energy: -115.252
Base-Backbone interact. energy: -0.219
local terms energy: -159.983662
where:
bonds (distance) C4'-P energy: -37.868
bonds (distance) P-C4' energy: -36.119
flat angles C4'-P-C4' energy: -40.430
flat angles P-C4'-P energy: -16.985
tors. eta vs tors. theta energy: -28.582
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: 8, replica: 3
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -277.510594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.510594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.510594 (E_RNA)
where:
Base-Base interactions energy: -120.721
where: short stacking energy: -88.521
Base-Backbone interact. energy: -0.270
local terms energy: -156.519850
where:
bonds (distance) C4'-P energy: -33.655
bonds (distance) P-C4' energy: -35.489
flat angles C4'-P-C4' energy: -38.824
flat angles P-C4'-P energy: -23.208
tors. eta vs tors. theta energy: -25.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -199.421360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.421360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.421360 (E_RNA)
where:
Base-Base interactions energy: -92.958
where: short stacking energy: -54.531
Base-Backbone interact. energy: -0.214
local terms energy: -106.249144
where:
bonds (distance) C4'-P energy: -40.285
bonds (distance) P-C4' energy: -37.457
flat angles C4'-P-C4' energy: -22.546
flat angles P-C4'-P energy: -5.557
tors. eta vs tors. theta energy: -0.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -189.368577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.368577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.368577 (E_RNA)
where:
Base-Base interactions energy: -93.393
where: short stacking energy: -33.157
Base-Backbone interact. energy: 2.220
local terms energy: -98.195910
where:
bonds (distance) C4'-P energy: -28.218
bonds (distance) P-C4' energy: -34.276
flat angles C4'-P-C4' energy: -29.934
flat angles P-C4'-P energy: -12.342
tors. eta vs tors. theta energy: 6.573
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: 6
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -650.832558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.832558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.832558 (E_RNA)
where:
Base-Base interactions energy: -432.483
where: short stacking energy: -209.431
Base-Backbone interact. energy: -0.820
local terms energy: -217.529889
where:
bonds (distance) C4'-P energy: -38.497
bonds (distance) P-C4' energy: -38.632
flat angles C4'-P-C4' energy: -46.141
flat angles P-C4'-P energy: -31.535
tors. eta vs tors. theta energy: -62.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -608.424822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.424822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.424822 (E_RNA)
where:
Base-Base interactions energy: -381.874
where: short stacking energy: -182.150
Base-Backbone interact. energy: -0.057
local terms energy: -226.493274
where:
bonds (distance) C4'-P energy: -43.391
bonds (distance) P-C4' energy: -43.367
flat angles C4'-P-C4' energy: -42.758
flat angles P-C4'-P energy: -35.992
tors. eta vs tors. theta energy: -60.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -626.635106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.635106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.635106 (E_RNA)
where:
Base-Base interactions energy: -440.431
where: short stacking energy: -165.430
Base-Backbone interact. energy: 0.170
local terms energy: -186.373983
where:
bonds (distance) C4'-P energy: -36.652
bonds (distance) P-C4' energy: -36.707
flat angles C4'-P-C4' energy: -35.616
flat angles P-C4'-P energy: -28.318
tors. eta vs tors. theta energy: -49.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -533.637496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.637496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.637496 (E_RNA)
where:
Base-Base interactions energy: -359.716
where: short stacking energy: -169.054
Base-Backbone interact. energy: 1.021
local terms energy: -174.942113
where:
bonds (distance) C4'-P energy: -29.949
bonds (distance) P-C4' energy: -39.039
flat angles C4'-P-C4' energy: -39.912
flat angles P-C4'-P energy: -22.074
tors. eta vs tors. theta energy: -43.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -472.837919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.837919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.837919 (E_RNA)
where:
Base-Base interactions energy: -292.559
where: short stacking energy: -158.200
Base-Backbone interact. energy: 0.117
local terms energy: -180.395418
where:
bonds (distance) C4'-P energy: -34.949
bonds (distance) P-C4' energy: -32.472
flat angles C4'-P-C4' energy: -33.142
flat angles P-C4'-P energy: -27.258
tors. eta vs tors. theta energy: -52.575
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: 7
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -410.289508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.289508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.289508 (E_RNA)
where:
Base-Base interactions energy: -253.984
where: short stacking energy: -121.211
Base-Backbone interact. energy: -0.483
local terms energy: -155.822230
where:
bonds (distance) C4'-P energy: -25.602
bonds (distance) P-C4' energy: -35.590
flat angles C4'-P-C4' energy: -39.722
flat angles P-C4'-P energy: -24.965
tors. eta vs tors. theta energy: -29.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -369.243731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.243731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.243731 (E_RNA)
where:
Base-Base interactions energy: -216.095
where: short stacking energy: -113.435
Base-Backbone interact. energy: 0.844
local terms energy: -153.992816
where:
bonds (distance) C4'-P energy: -39.074
bonds (distance) P-C4' energy: -44.758
flat angles C4'-P-C4' energy: -29.756
flat angles P-C4'-P energy: -25.192
tors. eta vs tors. theta energy: -15.212
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: 3
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -198.593718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.593718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.593718 (E_RNA)
where:
Base-Base interactions energy: -89.168
where: short stacking energy: -66.966
Base-Backbone interact. energy: -1.639
local terms energy: -107.786381
where:
bonds (distance) C4'-P energy: -33.619
bonds (distance) P-C4' energy: -32.209
flat angles C4'-P-C4' energy: -28.361
flat angles P-C4'-P energy: -10.924
tors. eta vs tors. theta energy: -2.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -198.547660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.547660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.547660 (E_RNA)
where:
Base-Base interactions energy: -102.143
where: short stacking energy: -60.620
Base-Backbone interact. energy: -0.862
local terms energy: -95.543228
where:
bonds (distance) C4'-P energy: -32.670
bonds (distance) P-C4' energy: -38.316
flat angles C4'-P-C4' energy: -18.324
flat angles P-C4'-P energy: -8.939
tors. eta vs tors. theta energy: 2.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -175.732224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.732224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.732224 (E_RNA)
where:
Base-Base interactions energy: -64.508
where: short stacking energy: -57.768
Base-Backbone interact. energy: 2.806
local terms energy: -114.030856
where:
bonds (distance) C4'-P energy: -27.732
bonds (distance) P-C4' energy: -36.761
flat angles C4'-P-C4' energy: -32.714
flat angles P-C4'-P energy: -20.878
tors. eta vs tors. theta energy: 4.055
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: 6
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -646.911165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.911165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.911165 (E_RNA)
where:
Base-Base interactions energy: -426.915
where: short stacking energy: -200.089
Base-Backbone interact. energy: -0.033
local terms energy: -219.963158
where:
bonds (distance) C4'-P energy: -34.354
bonds (distance) P-C4' energy: -39.970
flat angles C4'-P-C4' energy: -49.962
flat angles P-C4'-P energy: -33.406
tors. eta vs tors. theta energy: -62.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -612.890791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.890791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.890791 (E_RNA)
where:
Base-Base interactions energy: -396.817
where: short stacking energy: -187.462
Base-Backbone interact. energy: -1.061
local terms energy: -215.012441
where:
bonds (distance) C4'-P energy: -38.782
bonds (distance) P-C4' energy: -38.282
flat angles C4'-P-C4' energy: -45.061
flat angles P-C4'-P energy: -33.604
tors. eta vs tors. theta energy: -59.283
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: 9
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -609.983773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.983773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.983773 (E_RNA)
where:
Base-Base interactions energy: -405.995
where: short stacking energy: -178.898
Base-Backbone interact. energy: -1.653
local terms energy: -202.336426
where:
bonds (distance) C4'-P energy: -28.703
bonds (distance) P-C4' energy: -43.709
flat angles C4'-P-C4' energy: -45.419
flat angles P-C4'-P energy: -29.398
tors. eta vs tors. theta energy: -55.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -521.866752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.866752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.866752 (E_RNA)
where:
Base-Base interactions energy: -337.794
where: short stacking energy: -156.569
Base-Backbone interact. energy: 1.510
local terms energy: -185.582603
where:
bonds (distance) C4'-P energy: -40.098
bonds (distance) P-C4' energy: -32.514
flat angles C4'-P-C4' energy: -42.442
flat angles P-C4'-P energy: -29.168
tors. eta vs tors. theta energy: -41.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -484.697903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.697903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.697903 (E_RNA)
where:
Base-Base interactions energy: -305.771
where: short stacking energy: -152.180
Base-Backbone interact. energy: -0.245
local terms energy: -178.682103
where:
bonds (distance) C4'-P energy: -36.192
bonds (distance) P-C4' energy: -27.710
flat angles C4'-P-C4' energy: -39.886
flat angles P-C4'-P energy: -29.362
tors. eta vs tors. theta energy: -45.532
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: 7
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -416.986369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.986369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.986369 (E_RNA)
where:
Base-Base interactions energy: -261.073
where: short stacking energy: -121.842
Base-Backbone interact. energy: -1.182
local terms energy: -154.731636
where:
bonds (distance) C4'-P energy: -35.396
bonds (distance) P-C4' energy: -36.331
flat angles C4'-P-C4' energy: -28.159
flat angles P-C4'-P energy: -29.198
tors. eta vs tors. theta energy: -25.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -389.691254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.691254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.691254 (E_RNA)
where:
Base-Base interactions energy: -220.071
where: short stacking energy: -116.367
Base-Backbone interact. energy: -0.936
local terms energy: -168.684100
where:
bonds (distance) C4'-P energy: -39.830
bonds (distance) P-C4' energy: -40.163
flat angles C4'-P-C4' energy: -36.199
flat angles P-C4'-P energy: -24.667
tors. eta vs tors. theta energy: -27.826
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: 3
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -226.707756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.707756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.707756 (E_RNA)
where:
Base-Base interactions energy: -110.198
where: short stacking energy: -84.473
Base-Backbone interact. energy: -0.399
local terms energy: -116.110815
where:
bonds (distance) C4'-P energy: -25.714
bonds (distance) P-C4' energy: -39.609
flat angles C4'-P-C4' energy: -28.939
flat angles P-C4'-P energy: -16.145
tors. eta vs tors. theta energy: -5.703
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: 82
Temperature: 1.300000
Total energy: -186.318623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.318623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.318623 (E_RNA)
where:
Base-Base interactions energy: -83.105
where: short stacking energy: -56.839
Base-Backbone interact. energy: -0.001
local terms energy: -103.212723
where:
bonds (distance) C4'-P energy: -29.442
bonds (distance) P-C4' energy: -33.158
flat angles C4'-P-C4' energy: -24.835
flat angles P-C4'-P energy: -18.312
tors. eta vs tors. theta energy: 2.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -181.238424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.238424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.238424 (E_RNA)
where:
Base-Base interactions energy: -76.157
where: short stacking energy: -49.598
Base-Backbone interact. energy: 3.116
local terms energy: -108.198324
where:
bonds (distance) C4'-P energy: -34.780
bonds (distance) P-C4' energy: -44.500
flat angles C4'-P-C4' energy: -21.510
flat angles P-C4'-P energy: -15.782
tors. eta vs tors. theta energy: 8.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -662.063989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.063989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.063989 (E_RNA)
where:
Base-Base interactions energy: -439.614
where: short stacking energy: -207.497
Base-Backbone interact. energy: -0.123
local terms energy: -222.326723
where:
bonds (distance) C4'-P energy: -44.127
bonds (distance) P-C4' energy: -37.136
flat angles C4'-P-C4' energy: -44.372
flat angles P-C4'-P energy: -33.722
tors. eta vs tors. theta energy: -62.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -612.254436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.254436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.254436 (E_RNA)
where:
Base-Base interactions energy: -397.137
where: short stacking energy: -201.984
Base-Backbone interact. energy: -1.651
local terms energy: -213.465838
where:
bonds (distance) C4'-P energy: -34.212
bonds (distance) P-C4' energy: -40.296
flat angles C4'-P-C4' energy: -43.551
flat angles P-C4'-P energy: -35.541
tors. eta vs tors. theta energy: -59.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -576.212554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.212554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.212554 (E_RNA)
where:
Base-Base interactions energy: -375.257
where: short stacking energy: -151.170
Base-Backbone interact. energy: -4.062
local terms energy: -196.893401
where:
bonds (distance) C4'-P energy: -41.193
bonds (distance) P-C4' energy: -38.956
flat angles C4'-P-C4' energy: -36.935
flat angles P-C4'-P energy: -30.659
tors. eta vs tors. theta energy: -49.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -521.205198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.205198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.205198 (E_RNA)
where:
Base-Base interactions energy: -338.508
where: short stacking energy: -152.748
Base-Backbone interact. energy: 0.893
local terms energy: -183.589954
where:
bonds (distance) C4'-P energy: -37.915
bonds (distance) P-C4' energy: -38.462
flat angles C4'-P-C4' energy: -40.626
flat angles P-C4'-P energy: -23.014
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: 5, replica: 2
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -484.120964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.120964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.120964 (E_RNA)
where:
Base-Base interactions energy: -311.362
where: short stacking energy: -148.368
Base-Backbone interact. energy: 0.071
local terms energy: -172.829452
where:
bonds (distance) C4'-P energy: -39.816
bonds (distance) P-C4' energy: -37.374
flat angles C4'-P-C4' energy: -40.520
flat angles P-C4'-P energy: -14.796
tors. eta vs tors. theta energy: -40.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -429.583646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.583646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.583646 (E_RNA)
where:
Base-Base interactions energy: -254.906
where: short stacking energy: -122.135
Base-Backbone interact. energy: -0.413
local terms energy: -174.264540
where:
bonds (distance) C4'-P energy: -31.588
bonds (distance) P-C4' energy: -45.986
flat angles C4'-P-C4' energy: -37.473
flat angles P-C4'-P energy: -25.231
tors. eta vs tors. theta energy: -33.987
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: 7, replica: 7
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -396.066096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.066096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.066096 (E_RNA)
where:
Base-Base interactions energy: -238.022
where: short stacking energy: -118.809
Base-Backbone interact. energy: -0.215
local terms energy: -157.829886
where:
bonds (distance) C4'-P energy: -33.211
bonds (distance) P-C4' energy: -34.098
flat angles C4'-P-C4' energy: -34.967
flat angles P-C4'-P energy: -26.183
tors. eta vs tors. theta energy: -29.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -181.108367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.108367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.108367 (E_RNA)
where:
Base-Base interactions energy: -61.733
where: short stacking energy: -46.421
Base-Backbone interact. energy: 2.691
local terms energy: -122.066603
where:
bonds (distance) C4'-P energy: -30.600
bonds (distance) P-C4' energy: -35.779
flat angles C4'-P-C4' energy: -38.807
flat angles P-C4'-P energy: -22.345
tors. eta vs tors. theta energy: 5.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -241.532651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.532651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.532651 (E_RNA)
where:
Base-Base interactions energy: -108.958
where: short stacking energy: -64.839
Base-Backbone interact. energy: -1.005
local terms energy: -131.569737
where:
bonds (distance) C4'-P energy: -28.061
bonds (distance) P-C4' energy: -33.699
flat angles C4'-P-C4' energy: -36.763
flat angles P-C4'-P energy: -22.701
tors. eta vs tors. theta energy: -10.345
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: 1
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -166.809324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.809324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.809324 (E_RNA)
where:
Base-Base interactions energy: -60.427
where: short stacking energy: -50.328
Base-Backbone interact. energy: -0.154
local terms energy: -106.228557
where:
bonds (distance) C4'-P energy: -35.484
bonds (distance) P-C4' energy: -31.686
flat angles C4'-P-C4' energy: -20.943
flat angles P-C4'-P energy: -18.970
tors. eta vs tors. theta energy: 0.855
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: 1, replica: 6
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -657.454585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.454585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.454585 (E_RNA)
where:
Base-Base interactions energy: -428.587
where: short stacking energy: -206.307
Base-Backbone interact. energy: -0.352
local terms energy: -228.516383
where:
bonds (distance) C4'-P energy: -44.020
bonds (distance) P-C4' energy: -40.626
flat angles C4'-P-C4' energy: -44.227
flat angles P-C4'-P energy: -34.881
tors. eta vs tors. theta energy: -64.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -613.865611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.865611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.865611 (E_RNA)
where:
Base-Base interactions energy: -417.219
where: short stacking energy: -186.718
Base-Backbone interact. energy: 6.551
local terms energy: -203.197234
where:
bonds (distance) C4'-P energy: -31.087
bonds (distance) P-C4' energy: -41.318
flat angles C4'-P-C4' energy: -46.323
flat angles P-C4'-P energy: -26.434
tors. eta vs tors. theta energy: -58.035
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: 9
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -598.466513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.466513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.466513 (E_RNA)
where:
Base-Base interactions energy: -404.189
where: short stacking energy: -168.561
Base-Backbone interact. energy: -3.025
local terms energy: -191.252617
where:
bonds (distance) C4'-P energy: -35.288
bonds (distance) P-C4' energy: -36.631
flat angles C4'-P-C4' energy: -36.373
flat angles P-C4'-P energy: -27.589
tors. eta vs tors. theta energy: -55.371
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: 84
Temperature: 1.050000
Total energy: -512.894000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.894000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.894000 (E_RNA)
where:
Base-Base interactions energy: -334.650
where: short stacking energy: -136.557
Base-Backbone interact. energy: 0.607
local terms energy: -178.851180
where:
bonds (distance) C4'-P energy: -34.703
bonds (distance) P-C4' energy: -43.586
flat angles C4'-P-C4' energy: -33.738
flat angles P-C4'-P energy: -26.273
tors. eta vs tors. theta energy: -40.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -555.337020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.337020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.337020 (E_RNA)
where:
Base-Base interactions energy: -361.143
where: short stacking energy: -171.158
Base-Backbone interact. energy: -0.051
local terms energy: -194.143538
where:
bonds (distance) C4'-P energy: -35.575
bonds (distance) P-C4' energy: -34.669
flat angles C4'-P-C4' energy: -39.272
flat angles P-C4'-P energy: -27.681
tors. eta vs tors. theta energy: -56.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -443.513375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.513375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.513375 (E_RNA)
where:
Base-Base interactions energy: -278.600
where: short stacking energy: -147.094
Base-Backbone interact. energy: 2.070
local terms energy: -166.983093
where:
bonds (distance) C4'-P energy: -38.999
bonds (distance) P-C4' energy: -34.557
flat angles C4'-P-C4' energy: -29.119
flat angles P-C4'-P energy: -21.248
tors. eta vs tors. theta energy: -43.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -389.870614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.870614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.870614 (E_RNA)
where:
Base-Base interactions energy: -228.416
where: short stacking energy: -116.440
Base-Backbone interact. energy: -0.160
local terms energy: -161.293694
where:
bonds (distance) C4'-P energy: -38.003
bonds (distance) P-C4' energy: -23.910
flat angles C4'-P-C4' energy: -44.867
flat angles P-C4'-P energy: -23.848
tors. eta vs tors. theta energy: -30.665
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: 8, replica: 3
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -187.948666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.948666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.948666 (E_RNA)
where:
Base-Base interactions energy: -66.295
where: short stacking energy: -50.237
Base-Backbone interact. energy: 0.333
local terms energy: -121.986503
where:
bonds (distance) C4'-P energy: -31.214
bonds (distance) P-C4' energy: -46.108
flat angles C4'-P-C4' energy: -28.247
flat angles P-C4'-P energy: -19.365
tors. eta vs tors. theta energy: 2.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -234.855507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.855507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.855507 (E_RNA)
where:
Base-Base interactions energy: -127.285
where: short stacking energy: -66.324
Base-Backbone interact. energy: 0.356
local terms energy: -107.926578
where:
bonds (distance) C4'-P energy: -39.815
bonds (distance) P-C4' energy: -29.458
flat angles C4'-P-C4' energy: -24.718
flat angles P-C4'-P energy: -4.601
tors. eta vs tors. theta energy: -9.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -159.723628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.723628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.723628 (E_RNA)
where:
Base-Base interactions energy: -42.499
where: short stacking energy: -35.930
Base-Backbone interact. energy: -0.827
local terms energy: -116.397286
where:
bonds (distance) C4'-P energy: -34.935
bonds (distance) P-C4' energy: -34.228
flat angles C4'-P-C4' energy: -35.054
flat angles P-C4'-P energy: -18.059
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: 1, replica: 6
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -651.259763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.259763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.259763 (E_RNA)
where:
Base-Base interactions energy: -447.901
where: short stacking energy: -197.754
Base-Backbone interact. energy: -0.477
local terms energy: -202.881586
where:
bonds (distance) C4'-P energy: -38.069
bonds (distance) P-C4' energy: -32.586
flat angles C4'-P-C4' energy: -41.699
flat angles P-C4'-P energy: -27.761
tors. eta vs tors. theta energy: -62.766
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: 9
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -595.776422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.776422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.776422 (E_RNA)
where:
Base-Base interactions energy: -404.182
where: short stacking energy: -166.319
Base-Backbone interact. energy: -1.913
local terms energy: -189.681608
where:
bonds (distance) C4'-P energy: -36.668
bonds (distance) P-C4' energy: -44.313
flat angles C4'-P-C4' energy: -36.154
flat angles P-C4'-P energy: -26.477
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: 3, replica: 8
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -595.035309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.035309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.035309 (E_RNA)
where:
Base-Base interactions energy: -379.792
where: short stacking energy: -188.518
Base-Backbone interact. energy: -0.178
local terms energy: -215.065166
where:
bonds (distance) C4'-P energy: -35.987
bonds (distance) P-C4' energy: -41.959
flat angles C4'-P-C4' energy: -44.540
flat angles P-C4'-P energy: -30.902
tors. eta vs tors. theta energy: -61.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -569.624695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.624695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.624695 (E_RNA)
where:
Base-Base interactions energy: -380.768
where: short stacking energy: -173.751
Base-Backbone interact. energy: -0.197
local terms energy: -188.659544
where:
bonds (distance) C4'-P energy: -32.742
bonds (distance) P-C4' energy: -37.793
flat angles C4'-P-C4' energy: -40.587
flat angles P-C4'-P energy: -19.835
tors. eta vs tors. theta energy: -57.702
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: 4
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -483.860390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.860390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.860390 (E_RNA)
where:
Base-Base interactions energy: -302.358
where: short stacking energy: -126.758
Base-Backbone interact. energy: -0.421
local terms energy: -181.081410
where:
bonds (distance) C4'-P energy: -39.368
bonds (distance) P-C4' energy: -40.390
flat angles C4'-P-C4' energy: -42.972
flat angles P-C4'-P energy: -23.629
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: 10
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -430.595521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.595521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.595521 (E_RNA)
where:
Base-Base interactions energy: -259.867
where: short stacking energy: -130.791
Base-Backbone interact. energy: -0.376
local terms energy: -170.352408
where:
bonds (distance) C4'-P energy: -38.296
bonds (distance) P-C4' energy: -34.389
flat angles C4'-P-C4' energy: -36.644
flat angles P-C4'-P energy: -25.061
tors. eta vs tors. theta energy: -35.962
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: 7
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -383.342929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.342929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.342929 (E_RNA)
where:
Base-Base interactions energy: -248.631
where: short stacking energy: -108.614
Base-Backbone interact. energy: -0.198
local terms energy: -134.514103
where:
bonds (distance) C4'-P energy: -28.355
bonds (distance) P-C4' energy: -40.794
flat angles C4'-P-C4' energy: -32.867
flat angles P-C4'-P energy: -14.804
tors. eta vs tors. theta energy: -17.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -209.278094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.278094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.278094 (E_RNA)
where:
Base-Base interactions energy: -79.768
where: short stacking energy: -72.471
Base-Backbone interact. energy: -0.328
local terms energy: -129.181741
where:
bonds (distance) C4'-P energy: -37.518
bonds (distance) P-C4' energy: -32.030
flat angles C4'-P-C4' energy: -27.965
flat angles P-C4'-P energy: -22.871
tors. eta vs tors. theta energy: -8.798
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: 9, replica: 3
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -186.021145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.021145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.021145 (E_RNA)
where:
Base-Base interactions energy: -58.097
where: short stacking energy: -56.750
Base-Backbone interact. energy: -0.529
local terms energy: -127.395383
where:
bonds (distance) C4'-P energy: -32.503
bonds (distance) P-C4' energy: -33.349
flat angles C4'-P-C4' energy: -32.729
flat angles P-C4'-P energy: -20.144
tors. eta vs tors. theta energy: -8.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -171.868718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.868718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.868718 (E_RNA)
where:
Base-Base interactions energy: -56.853
where: short stacking energy: -42.267
Base-Backbone interact. energy: 0.336
local terms energy: -115.351992
where:
bonds (distance) C4'-P energy: -29.395
bonds (distance) P-C4' energy: -44.668
flat angles C4'-P-C4' energy: -37.351
flat angles P-C4'-P energy: -14.079
tors. eta vs tors. theta energy: 10.141
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: 6
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -633.473186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.473186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.473186 (E_RNA)
where:
Base-Base interactions energy: -417.160
where: short stacking energy: -188.458
Base-Backbone interact. energy: -0.802
local terms energy: -215.510791
where:
bonds (distance) C4'-P energy: -34.404
bonds (distance) P-C4' energy: -41.255
flat angles C4'-P-C4' energy: -48.177
flat angles P-C4'-P energy: -33.570
tors. eta vs tors. theta energy: -58.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -608.841765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.841765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.841765 (E_RNA)
where:
Base-Base interactions energy: -411.102
where: short stacking energy: -159.430
Base-Backbone interact. energy: -1.667
local terms energy: -196.073056
where:
bonds (distance) C4'-P energy: -34.774
bonds (distance) P-C4' energy: -44.223
flat angles C4'-P-C4' energy: -38.364
flat angles P-C4'-P energy: -26.733
tors. eta vs tors. theta energy: -51.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -584.303938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.303938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.303938 (E_RNA)
where:
Base-Base interactions energy: -381.405
where: short stacking energy: -176.228
Base-Backbone interact. energy: -0.556
local terms energy: -202.343290
where:
bonds (distance) C4'-P energy: -44.117
bonds (distance) P-C4' energy: -39.534
flat angles C4'-P-C4' energy: -46.044
flat angles P-C4'-P energy: -19.148
tors. eta vs tors. theta energy: -53.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -565.430328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.430328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.430328 (E_RNA)
where:
Base-Base interactions energy: -361.346
where: short stacking energy: -164.076
Base-Backbone interact. energy: -0.520
local terms energy: -203.564207
where:
bonds (distance) C4'-P energy: -40.705
bonds (distance) P-C4' energy: -35.584
flat angles C4'-P-C4' energy: -40.614
flat angles P-C4'-P energy: -28.774
tors. eta vs tors. theta energy: -57.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -492.766408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.766408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.766408 (E_RNA)
where:
Base-Base interactions energy: -332.602
where: short stacking energy: -139.655
Base-Backbone interact. energy: 0.463
local terms energy: -160.627907
where:
bonds (distance) C4'-P energy: -35.418
bonds (distance) P-C4' energy: -23.825
flat angles C4'-P-C4' energy: -39.813
flat angles P-C4'-P energy: -26.094
tors. eta vs tors. theta energy: -35.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -409.766022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.766022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.766022 (E_RNA)
where:
Base-Base interactions energy: -232.870
where: short stacking energy: -126.964
Base-Backbone interact. energy: -1.346
local terms energy: -175.549791
where:
bonds (distance) C4'-P energy: -40.189
bonds (distance) P-C4' energy: -33.817
flat angles C4'-P-C4' energy: -39.355
flat angles P-C4'-P energy: -33.400
tors. eta vs tors. theta energy: -28.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -425.709447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.709447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.709447 (E_RNA)
where:
Base-Base interactions energy: -258.465
where: short stacking energy: -120.316
Base-Backbone interact. energy: -0.910
local terms energy: -166.334296
where:
bonds (distance) C4'-P energy: -36.937
bonds (distance) P-C4' energy: -34.028
flat angles C4'-P-C4' energy: -37.566
flat angles P-C4'-P energy: -28.227
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: 8, replica: 1
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -237.028931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.028931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.028931 (E_RNA)
where:
Base-Base interactions energy: -103.954
where: short stacking energy: -58.901
Base-Backbone interact. energy: -1.859
local terms energy: -131.216765
where:
bonds (distance) C4'-P energy: -29.426
bonds (distance) P-C4' energy: -40.539
flat angles C4'-P-C4' energy: -37.365
flat angles P-C4'-P energy: -22.234
tors. eta vs tors. theta energy: -1.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -178.473414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.473414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.473414 (E_RNA)
where:
Base-Base interactions energy: -76.884
where: short stacking energy: -63.050
Base-Backbone interact. energy: -1.179
local terms energy: -100.410540
where:
bonds (distance) C4'-P energy: -27.114
bonds (distance) P-C4' energy: -33.721
flat angles C4'-P-C4' energy: -27.460
flat angles P-C4'-P energy: -12.277
tors. eta vs tors. theta energy: 0.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -179.817725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.817725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.817725 (E_RNA)
where:
Base-Base interactions energy: -72.182
where: short stacking energy: -46.553
Base-Backbone interact. energy: 1.864
local terms energy: -109.500176
where:
bonds (distance) C4'-P energy: -29.421
bonds (distance) P-C4' energy: -40.851
flat angles C4'-P-C4' energy: -35.336
flat angles P-C4'-P energy: -13.505
tors. eta vs tors. theta energy: 9.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -631.205329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.205329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.205329 (E_RNA)
where:
Base-Base interactions energy: -415.415
where: short stacking energy: -197.597
Base-Backbone interact. energy: -1.583
local terms energy: -214.206515
where:
bonds (distance) C4'-P energy: -39.299
bonds (distance) P-C4' energy: -38.498
flat angles C4'-P-C4' energy: -48.458
flat angles P-C4'-P energy: -28.472
tors. eta vs tors. theta energy: -59.479
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: 9
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -600.658600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.658600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.658600 (E_RNA)
where:
Base-Base interactions energy: -399.340
where: short stacking energy: -162.494
Base-Backbone interact. energy: -2.214
local terms energy: -199.104330
where:
bonds (distance) C4'-P energy: -34.128
bonds (distance) P-C4' energy: -47.460
flat angles C4'-P-C4' energy: -43.658
flat angles P-C4'-P energy: -25.991
tors. eta vs tors. theta energy: -47.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -598.572221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.572221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.572221 (E_RNA)
where:
Base-Base interactions energy: -384.536
where: short stacking energy: -184.655
Base-Backbone interact. energy: -0.801
local terms energy: -213.235958
where:
bonds (distance) C4'-P energy: -33.568
bonds (distance) P-C4' energy: -47.176
flat angles C4'-P-C4' energy: -46.408
flat angles P-C4'-P energy: -27.265
tors. eta vs tors. theta energy: -58.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -540.569965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.569965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.569965 (E_RNA)
where:
Base-Base interactions energy: -346.814
where: short stacking energy: -168.458
Base-Backbone interact. energy: -0.065
local terms energy: -193.691132
where:
bonds (distance) C4'-P energy: -34.589
bonds (distance) P-C4' energy: -39.191
flat angles C4'-P-C4' energy: -46.258
flat angles P-C4'-P energy: -23.043
tors. eta vs tors. theta energy: -50.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -489.921290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.921290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.921290 (E_RNA)
where:
Base-Base interactions energy: -322.098
where: short stacking energy: -137.024
Base-Backbone interact. energy: -1.073
local terms energy: -166.750265
where:
bonds (distance) C4'-P energy: -32.470
bonds (distance) P-C4' energy: -35.747
flat angles C4'-P-C4' energy: -35.803
flat angles P-C4'-P energy: -25.064
tors. eta vs tors. theta energy: -37.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -474.939769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.939769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.939769 (E_RNA)
where:
Base-Base interactions energy: -288.630
where: short stacking energy: -129.405
Base-Backbone interact. energy: -0.216
local terms energy: -186.093527
where:
bonds (distance) C4'-P energy: -38.211
bonds (distance) P-C4' energy: -45.299
flat angles C4'-P-C4' energy: -42.791
flat angles P-C4'-P energy: -24.351
tors. eta vs tors. theta energy: -35.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -341.314805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.314805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.314805 (E_RNA)
where:
Base-Base interactions energy: -194.918
where: short stacking energy: -105.357
Base-Backbone interact. energy: -1.231
local terms energy: -145.165505
where:
bonds (distance) C4'-P energy: -33.448
bonds (distance) P-C4' energy: -35.888
flat angles C4'-P-C4' energy: -31.384
flat angles P-C4'-P energy: -23.406
tors. eta vs tors. theta energy: -21.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -204.391734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.391734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.391734 (E_RNA)
where:
Base-Base interactions energy: -84.687
where: short stacking energy: -34.720
Base-Backbone interact. energy: 2.019
local terms energy: -121.723698
where:
bonds (distance) C4'-P energy: -35.119
bonds (distance) P-C4' energy: -45.352
flat angles C4'-P-C4' energy: -24.994
flat angles P-C4'-P energy: -22.132
tors. eta vs tors. theta energy: 5.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -196.851798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.851798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.851798 (E_RNA)
where:
Base-Base interactions energy: -70.837
where: short stacking energy: -47.387
Base-Backbone interact. energy: 4.166
local terms energy: -130.180551
where:
bonds (distance) C4'-P energy: -27.828
bonds (distance) P-C4' energy: -36.712
flat angles C4'-P-C4' energy: -36.965
flat angles P-C4'-P energy: -27.526
tors. eta vs tors. theta energy: -1.150
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: 10, replica: 3
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -166.831090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.831090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.831090 (E_RNA)
where:
Base-Base interactions energy: -47.430
where: short stacking energy: -45.724
Base-Backbone interact. energy: -0.618
local terms energy: -118.782749
where:
bonds (distance) C4'-P energy: -35.219
bonds (distance) P-C4' energy: -34.085
flat angles C4'-P-C4' energy: -33.007
flat angles P-C4'-P energy: -16.547
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: 1, replica: 6
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -631.430873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.430873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.430873 (E_RNA)
where:
Base-Base interactions energy: -414.002
where: short stacking energy: -195.727
Base-Backbone interact. energy: -0.799
local terms energy: -216.629350
where:
bonds (distance) C4'-P energy: -40.891
bonds (distance) P-C4' energy: -44.636
flat angles C4'-P-C4' energy: -43.824
flat angles P-C4'-P energy: -29.295
tors. eta vs tors. theta energy: -57.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -607.620660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.620660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.620660 (E_RNA)
where:
Base-Base interactions energy: -406.457
where: short stacking energy: -161.253
Base-Backbone interact. energy: -3.984
local terms energy: -197.179086
where:
bonds (distance) C4'-P energy: -43.437
bonds (distance) P-C4' energy: -37.159
flat angles C4'-P-C4' energy: -39.436
flat angles P-C4'-P energy: -30.451
tors. eta vs tors. theta energy: -46.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -589.860522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.860522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.860522 (E_RNA)
where:
Base-Base interactions energy: -394.281
where: short stacking energy: -180.254
Base-Backbone interact. energy: -0.241
local terms energy: -195.338430
where:
bonds (distance) C4'-P energy: -34.907
bonds (distance) P-C4' energy: -42.289
flat angles C4'-P-C4' energy: -38.330
flat angles P-C4'-P energy: -28.991
tors. eta vs tors. theta energy: -50.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -552.419150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.419150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.419150 (E_RNA)
where:
Base-Base interactions energy: -348.349
where: short stacking energy: -168.949
Base-Backbone interact. energy: -0.618
local terms energy: -203.452270
where:
bonds (distance) C4'-P energy: -37.243
bonds (distance) P-C4' energy: -43.986
flat angles C4'-P-C4' energy: -38.712
flat angles P-C4'-P energy: -28.986
tors. eta vs tors. theta energy: -54.525
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: 7
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -490.722442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.722442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.722442 (E_RNA)
where:
Base-Base interactions energy: -326.950
where: short stacking energy: -139.386
Base-Backbone interact. energy: 0.170
local terms energy: -163.942596
where:
bonds (distance) C4'-P energy: -32.602
bonds (distance) P-C4' energy: -36.729
flat angles C4'-P-C4' energy: -29.263
flat angles P-C4'-P energy: -28.062
tors. eta vs tors. theta energy: -37.286
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: 4
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -475.313824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.313824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.313824 (E_RNA)
where:
Base-Base interactions energy: -310.210
where: short stacking energy: -122.905
Base-Backbone interact. energy: 1.934
local terms energy: -167.038052
where:
bonds (distance) C4'-P energy: -44.853
bonds (distance) P-C4' energy: -34.506
flat angles C4'-P-C4' energy: -23.452
flat angles P-C4'-P energy: -29.710
tors. eta vs tors. theta energy: -34.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -350.533511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.533511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.533511 (E_RNA)
where:
Base-Base interactions energy: -191.154
where: short stacking energy: -103.737
Base-Backbone interact. energy: -0.384
local terms energy: -158.995684
where:
bonds (distance) C4'-P energy: -42.495
bonds (distance) P-C4' energy: -32.839
flat angles C4'-P-C4' energy: -36.486
flat angles P-C4'-P energy: -23.314
tors. eta vs tors. theta energy: -23.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -187.481230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.481230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.481230 (E_RNA)
where:
Base-Base interactions energy: -71.111
where: short stacking energy: -46.868
Base-Backbone interact. energy: 1.030
local terms energy: -117.400236
where:
bonds (distance) C4'-P energy: -36.971
bonds (distance) P-C4' energy: -36.388
flat angles C4'-P-C4' energy: -27.088
flat angles P-C4'-P energy: -19.800
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: 9, replica: 3
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -205.263928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.263928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.263928 (E_RNA)
where:
Base-Base interactions energy: -92.322
where: short stacking energy: -47.356
Base-Backbone interact. energy: -0.088
local terms energy: -112.854243
where:
bonds (distance) C4'-P energy: -30.213
bonds (distance) P-C4' energy: -37.065
flat angles C4'-P-C4' energy: -30.927
flat angles P-C4'-P energy: -18.186
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: 10, replica: 1
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -158.883360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.883360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.883360 (E_RNA)
where:
Base-Base interactions energy: -55.815
where: short stacking energy: -42.576
Base-Backbone interact. energy: -1.137
local terms energy: -101.931184
where:
bonds (distance) C4'-P energy: -35.234
bonds (distance) P-C4' energy: -34.327
flat angles C4'-P-C4' energy: -27.570
flat angles P-C4'-P energy: -15.301
tors. eta vs tors. theta energy: 10.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -637.581323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.581323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.581323 (E_RNA)
where:
Base-Base interactions energy: -411.523
where: short stacking energy: -177.777
Base-Backbone interact. energy: -0.135
local terms energy: -225.922937
where:
bonds (distance) C4'-P energy: -43.015
bonds (distance) P-C4' energy: -42.905
flat angles C4'-P-C4' energy: -46.481
flat angles P-C4'-P energy: -33.426
tors. eta vs tors. theta energy: -60.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -618.521725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.521725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.521725 (E_RNA)
where:
Base-Base interactions energy: -406.742
where: short stacking energy: -200.814
Base-Backbone interact. energy: -0.690
local terms energy: -211.089514
where:
bonds (distance) C4'-P energy: -42.902
bonds (distance) P-C4' energy: -33.107
flat angles C4'-P-C4' energy: -43.027
flat angles P-C4'-P energy: -28.709
tors. eta vs tors. theta energy: -63.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -593.220058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.220058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.220058 (E_RNA)
where:
Base-Base interactions energy: -418.519
where: short stacking energy: -180.620
Base-Backbone interact. energy: -1.532
local terms energy: -173.168341
where:
bonds (distance) C4'-P energy: -29.744
bonds (distance) P-C4' energy: -38.270
flat angles C4'-P-C4' energy: -36.794
flat angles P-C4'-P energy: -25.015
tors. eta vs tors. theta energy: -43.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -575.072887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.072887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.072887 (E_RNA)
where:
Base-Base interactions energy: -379.000
where: short stacking energy: -183.958
Base-Backbone interact. energy: -0.677
local terms energy: -195.395526
where:
bonds (distance) C4'-P energy: -36.721
bonds (distance) P-C4' energy: -28.369
flat angles C4'-P-C4' energy: -39.602
flat angles P-C4'-P energy: -28.131
tors. eta vs tors. theta energy: -62.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -490.269392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.269392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.269392 (E_RNA)
where:
Base-Base interactions energy: -320.574
where: short stacking energy: -146.834
Base-Backbone interact. energy: -0.336
local terms energy: -169.359724
where:
bonds (distance) C4'-P energy: -25.381
bonds (distance) P-C4' energy: -45.575
flat angles C4'-P-C4' energy: -38.655
flat angles P-C4'-P energy: -21.043
tors. eta vs tors. theta energy: -38.706
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: 4
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -469.481397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.481397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.481397 (E_RNA)
where:
Base-Base interactions energy: -308.223
where: short stacking energy: -133.731
Base-Backbone interact. energy: -1.072
local terms energy: -160.186258
where:
bonds (distance) C4'-P energy: -29.419
bonds (distance) P-C4' energy: -38.741
flat angles C4'-P-C4' energy: -33.351
flat angles P-C4'-P energy: -24.853
tors. eta vs tors. theta energy: -33.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -393.780606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.780606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.780606 (E_RNA)
where:
Base-Base interactions energy: -244.554
where: short stacking energy: -124.033
Base-Backbone interact. energy: -0.394
local terms energy: -148.831903
where:
bonds (distance) C4'-P energy: -29.968
bonds (distance) P-C4' energy: -32.213
flat angles C4'-P-C4' energy: -35.503
flat angles P-C4'-P energy: -22.044
tors. eta vs tors. theta energy: -29.104
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: 5
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -187.648939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.648939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.648939 (E_RNA)
where:
Base-Base interactions energy: -76.063
where: short stacking energy: -59.237
Base-Backbone interact. energy: -0.697
local terms energy: -110.888696
where:
bonds (distance) C4'-P energy: -27.416
bonds (distance) P-C4' energy: -38.603
flat angles C4'-P-C4' energy: -28.065
flat angles P-C4'-P energy: -13.784
tors. eta vs tors. theta energy: -3.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -177.199199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.199199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.199199 (E_RNA)
where:
Base-Base interactions energy: -55.076
where: short stacking energy: -55.076
Base-Backbone interact. energy: -0.638
local terms energy: -121.485290
where:
bonds (distance) C4'-P energy: -40.767
bonds (distance) P-C4' energy: -38.985
flat angles C4'-P-C4' energy: -21.756
flat angles P-C4'-P energy: -16.817
tors. eta vs tors. theta energy: -3.160
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: 1
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -180.242725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.242725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.242725 (E_RNA)
where:
Base-Base interactions energy: -60.638
where: short stacking energy: -52.357
Base-Backbone interact. energy: -0.598
local terms energy: -119.006024
where:
bonds (distance) C4'-P energy: -29.742
bonds (distance) P-C4' energy: -33.951
flat angles C4'-P-C4' energy: -29.329
flat angles P-C4'-P energy: -19.981
tors. eta vs tors. theta energy: -6.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -647.463708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.463708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.463708 (E_RNA)
where:
Base-Base interactions energy: -436.962
where: short stacking energy: -204.389
Base-Backbone interact. energy: -0.012
local terms energy: -210.489082
where:
bonds (distance) C4'-P energy: -30.376
bonds (distance) P-C4' energy: -38.973
flat angles C4'-P-C4' energy: -46.270
flat angles P-C4'-P energy: -31.191
tors. eta vs tors. theta energy: -63.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -607.043786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.043786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.043786 (E_RNA)
where:
Base-Base interactions energy: -394.067
where: short stacking energy: -199.300
Base-Backbone interact. energy: -0.932
local terms energy: -212.044200
where:
bonds (distance) C4'-P energy: -42.316
bonds (distance) P-C4' energy: -38.603
flat angles C4'-P-C4' energy: -45.948
flat angles P-C4'-P energy: -23.900
tors. eta vs tors. theta energy: -61.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -602.566204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.566204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.566204 (E_RNA)
where:
Base-Base interactions energy: -388.307
where: short stacking energy: -180.553
Base-Backbone interact. energy: -0.159
local terms energy: -214.099973
where:
bonds (distance) C4'-P energy: -37.943
bonds (distance) P-C4' energy: -42.820
flat angles C4'-P-C4' energy: -46.936
flat angles P-C4'-P energy: -27.852
tors. eta vs tors. theta energy: -58.549
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: 9
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -576.024666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.024666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.024666 (E_RNA)
where:
Base-Base interactions energy: -387.465
where: short stacking energy: -165.356
Base-Backbone interact. energy: -0.294
local terms energy: -188.265979
where:
bonds (distance) C4'-P energy: -36.265
bonds (distance) P-C4' energy: -38.616
flat angles C4'-P-C4' energy: -37.385
flat angles P-C4'-P energy: -28.920
tors. eta vs tors. theta energy: -47.080
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: 4
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -476.973859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.973859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.973859 (E_RNA)
where:
Base-Base interactions energy: -301.731
where: short stacking energy: -141.291
Base-Backbone interact. energy: -0.514
local terms energy: -174.728887
where:
bonds (distance) C4'-P energy: -28.159
bonds (distance) P-C4' energy: -32.227
flat angles C4'-P-C4' energy: -38.510
flat angles P-C4'-P energy: -29.383
tors. eta vs tors. theta energy: -46.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -493.778603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.778603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.778603 (E_RNA)
where:
Base-Base interactions energy: -315.804
where: short stacking energy: -153.514
Base-Backbone interact. energy: -0.101
local terms energy: -177.873030
where:
bonds (distance) C4'-P energy: -26.139
bonds (distance) P-C4' energy: -41.198
flat angles C4'-P-C4' energy: -41.330
flat angles P-C4'-P energy: -16.716
tors. eta vs tors. theta energy: -52.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -388.739788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.739788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.739788 (E_RNA)
where:
Base-Base interactions energy: -228.038
where: short stacking energy: -112.291
Base-Backbone interact. energy: -0.036
local terms energy: -160.665842
where:
bonds (distance) C4'-P energy: -32.079
bonds (distance) P-C4' energy: -31.229
flat angles C4'-P-C4' energy: -40.053
flat angles P-C4'-P energy: -26.196
tors. eta vs tors. theta energy: -31.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -202.303744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.303744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.303744 (E_RNA)
where:
Base-Base interactions energy: -73.223
where: short stacking energy: -57.637
Base-Backbone interact. energy: 0.156
local terms energy: -129.236156
where:
bonds (distance) C4'-P energy: -31.551
bonds (distance) P-C4' energy: -40.066
flat angles C4'-P-C4' energy: -34.381
flat angles P-C4'-P energy: -25.410
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: 1
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -185.585724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.585724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.585724 (E_RNA)
where:
Base-Base interactions energy: -71.741
where: short stacking energy: -55.256
Base-Backbone interact. energy: -0.119
local terms energy: -113.725098
where:
bonds (distance) C4'-P energy: -33.125
bonds (distance) P-C4' energy: -35.070
flat angles C4'-P-C4' energy: -24.116
flat angles P-C4'-P energy: -23.457
tors. eta vs tors. theta energy: 2.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -169.570633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.570633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.570633 (E_RNA)
where:
Base-Base interactions energy: -53.715
where: short stacking energy: -41.816
Base-Backbone interact. energy: 0.333
local terms energy: -116.188513
where:
bonds (distance) C4'-P energy: -35.288
bonds (distance) P-C4' energy: -40.569
flat angles C4'-P-C4' energy: -27.562
flat angles P-C4'-P energy: -16.051
tors. eta vs tors. theta energy: 3.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -634.060300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.060300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.060300 (E_RNA)
where:
Base-Base interactions energy: -431.805
where: short stacking energy: -190.678
Base-Backbone interact. energy: -0.084
local terms energy: -202.171237
where:
bonds (distance) C4'-P energy: -35.345
bonds (distance) P-C4' energy: -34.731
flat angles C4'-P-C4' energy: -48.245
flat angles P-C4'-P energy: -29.711
tors. eta vs tors. theta energy: -54.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -624.405252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.405252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.405252 (E_RNA)
where:
Base-Base interactions energy: -412.274
where: short stacking energy: -187.821
Base-Backbone interact. energy: -0.286
local terms energy: -211.845230
where:
bonds (distance) C4'-P energy: -33.103
bonds (distance) P-C4' energy: -41.513
flat angles C4'-P-C4' energy: -46.709
flat angles P-C4'-P energy: -33.249
tors. eta vs tors. theta energy: -57.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -599.122786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.122786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.122786 (E_RNA)
where:
Base-Base interactions energy: -386.809
where: short stacking energy: -179.631
Base-Backbone interact. energy: -1.341
local terms energy: -210.973012
where:
bonds (distance) C4'-P energy: -36.947
bonds (distance) P-C4' energy: -45.689
flat angles C4'-P-C4' energy: -45.482
flat angles P-C4'-P energy: -27.725
tors. eta vs tors. theta energy: -55.131
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: 9
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -601.529021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.529021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.529021 (E_RNA)
where:
Base-Base interactions energy: -398.103
where: short stacking energy: -169.696
Base-Backbone interact. energy: -1.187
local terms energy: -202.239588
where:
bonds (distance) C4'-P energy: -40.641
bonds (distance) P-C4' energy: -43.581
flat angles C4'-P-C4' energy: -37.189
flat angles P-C4'-P energy: -31.137
tors. eta vs tors. theta energy: -49.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -483.551416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.551416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.551416 (E_RNA)
where:
Base-Base interactions energy: -307.187
where: short stacking energy: -155.673
Base-Backbone interact. energy: 2.245
local terms energy: -178.608775
where:
bonds (distance) C4'-P energy: -26.370
bonds (distance) P-C4' energy: -39.885
flat angles C4'-P-C4' energy: -32.945
flat angles P-C4'-P energy: -31.257
tors. eta vs tors. theta energy: -48.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -483.752564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.752564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.752564 (E_RNA)
where:
Base-Base interactions energy: -312.595
where: short stacking energy: -146.840
Base-Backbone interact. energy: 0.405
local terms energy: -171.562350
where:
bonds (distance) C4'-P energy: -34.827
bonds (distance) P-C4' energy: -34.039
flat angles C4'-P-C4' energy: -36.009
flat angles P-C4'-P energy: -24.599
tors. eta vs tors. theta energy: -42.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -380.463991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.463991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.463991 (E_RNA)
where:
Base-Base interactions energy: -231.631
where: short stacking energy: -117.818
Base-Backbone interact. energy: 1.870
local terms energy: -150.702944
where:
bonds (distance) C4'-P energy: -31.166
bonds (distance) P-C4' energy: -31.571
flat angles C4'-P-C4' energy: -37.204
flat angles P-C4'-P energy: -21.176
tors. eta vs tors. theta energy: -29.586
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: 91
Temperature: 1.250000
Total energy: -208.076542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.076542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.076542 (E_RNA)
where:
Base-Base interactions energy: -77.085
where: short stacking energy: -65.742
Base-Backbone interact. energy: -0.943
local terms energy: -130.048319
where:
bonds (distance) C4'-P energy: -35.071
bonds (distance) P-C4' energy: -34.406
flat angles C4'-P-C4' energy: -39.502
flat angles P-C4'-P energy: -11.549
tors. eta vs tors. theta energy: -9.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -214.086965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.086965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.086965 (E_RNA)
where:
Base-Base interactions energy: -81.711
where: short stacking energy: -60.710
Base-Backbone interact. energy: -0.710
local terms energy: -131.665566
where:
bonds (distance) C4'-P energy: -32.850
bonds (distance) P-C4' energy: -30.423
flat angles C4'-P-C4' energy: -39.958
flat angles P-C4'-P energy: -20.683
tors. eta vs tors. theta energy: -7.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -161.732645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.732645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.732645 (E_RNA)
where:
Base-Base interactions energy: -49.639
where: short stacking energy: -44.639
Base-Backbone interact. energy: -1.707
local terms energy: -110.386990
where:
bonds (distance) C4'-P energy: -27.251
bonds (distance) P-C4' energy: -39.998
flat angles C4'-P-C4' energy: -33.599
flat angles P-C4'-P energy: -10.827
tors. eta vs tors. theta energy: 1.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -630.812851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.812851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.812851 (E_RNA)
where:
Base-Base interactions energy: -413.520
where: short stacking energy: -189.543
Base-Backbone interact. energy: -0.205
local terms energy: -217.087389
where:
bonds (distance) C4'-P energy: -37.417
bonds (distance) P-C4' energy: -44.073
flat angles C4'-P-C4' energy: -44.434
flat angles P-C4'-P energy: -34.565
tors. eta vs tors. theta energy: -56.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -636.345369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.345369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.345369 (E_RNA)
where:
Base-Base interactions energy: -422.349
where: short stacking energy: -193.146
Base-Backbone interact. energy: -0.277
local terms energy: -213.718817
where:
bonds (distance) C4'-P energy: -40.519
bonds (distance) P-C4' energy: -38.807
flat angles C4'-P-C4' energy: -46.112
flat angles P-C4'-P energy: -28.552
tors. eta vs tors. theta energy: -59.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -585.374664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.374664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.374664 (E_RNA)
where:
Base-Base interactions energy: -380.268
where: short stacking energy: -187.274
Base-Backbone interact. energy: -0.173
local terms energy: -204.934012
where:
bonds (distance) C4'-P energy: -38.657
bonds (distance) P-C4' energy: -36.602
flat angles C4'-P-C4' energy: -38.936
flat angles P-C4'-P energy: -33.865
tors. eta vs tors. theta energy: -56.874
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: 9
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -568.512198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.512198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.512198 (E_RNA)
where:
Base-Base interactions energy: -383.061
where: short stacking energy: -160.594
Base-Backbone interact. energy: -0.885
local terms energy: -184.566851
where:
bonds (distance) C4'-P energy: -37.521
bonds (distance) P-C4' energy: -36.597
flat angles C4'-P-C4' energy: -36.591
flat angles P-C4'-P energy: -26.635
tors. eta vs tors. theta energy: -47.223
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: 5, replica: 4
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -476.548245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.548245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.548245 (E_RNA)
where:
Base-Base interactions energy: -312.294
where: short stacking energy: -147.709
Base-Backbone interact. energy: -0.701
local terms energy: -163.553423
where:
bonds (distance) C4'-P energy: -31.845
bonds (distance) P-C4' energy: -31.183
flat angles C4'-P-C4' energy: -37.913
flat angles P-C4'-P energy: -26.405
tors. eta vs tors. theta energy: -36.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -481.087192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.087192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.087192 (E_RNA)
where:
Base-Base interactions energy: -306.429
where: short stacking energy: -142.333
Base-Backbone interact. energy: -0.118
local terms energy: -174.540182
where:
bonds (distance) C4'-P energy: -31.130
bonds (distance) P-C4' energy: -46.779
flat angles C4'-P-C4' energy: -36.721
flat angles P-C4'-P energy: -18.314
tors. eta vs tors. theta energy: -41.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -377.479262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.479262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.479262 (E_RNA)
where:
Base-Base interactions energy: -221.630
where: short stacking energy: -106.037
Base-Backbone interact. energy: -2.190
local terms energy: -153.659603
where:
bonds (distance) C4'-P energy: -30.268
bonds (distance) P-C4' energy: -36.022
flat angles C4'-P-C4' energy: -37.548
flat angles P-C4'-P energy: -19.514
tors. eta vs tors. theta energy: -30.307
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: 92
Temperature: 1.250000
Total energy: -212.770058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.770058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.770058 (E_RNA)
where:
Base-Base interactions energy: -87.478
where: short stacking energy: -60.762
Base-Backbone interact. energy: -0.858
local terms energy: -124.434036
where:
bonds (distance) C4'-P energy: -36.697
bonds (distance) P-C4' energy: -37.638
flat angles C4'-P-C4' energy: -32.068
flat angles P-C4'-P energy: -9.563
tors. eta vs tors. theta energy: -8.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -206.226193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.226193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.226193 (E_RNA)
where:
Base-Base interactions energy: -84.696
where: short stacking energy: -57.466
Base-Backbone interact. energy: -0.938
local terms energy: -120.592937
where:
bonds (distance) C4'-P energy: -24.977
bonds (distance) P-C4' energy: -36.071
flat angles C4'-P-C4' energy: -29.219
flat angles P-C4'-P energy: -24.732
tors. eta vs tors. theta energy: -5.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -169.009341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.009341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.009341 (E_RNA)
where:
Base-Base interactions energy: -58.632
where: short stacking energy: -44.091
Base-Backbone interact. energy: -0.426
local terms energy: -109.951869
where:
bonds (distance) C4'-P energy: -32.881
bonds (distance) P-C4' energy: -36.441
flat angles C4'-P-C4' energy: -28.824
flat angles P-C4'-P energy: -15.816
tors. eta vs tors. theta energy: 4.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -619.027468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.027468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.027468 (E_RNA)
where:
Base-Base interactions energy: -392.096
where: short stacking energy: -196.418
Base-Backbone interact. energy: -0.224
local terms energy: -226.707707
where:
bonds (distance) C4'-P energy: -42.327
bonds (distance) P-C4' energy: -42.269
flat angles C4'-P-C4' energy: -43.602
flat angles P-C4'-P energy: -32.581
tors. eta vs tors. theta energy: -65.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -640.399812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.399812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.399812 (E_RNA)
where:
Base-Base interactions energy: -438.773
where: short stacking energy: -185.606
Base-Backbone interact. energy: 0.613
local terms energy: -202.239450
where:
bonds (distance) C4'-P energy: -36.861
bonds (distance) P-C4' energy: -37.413
flat angles C4'-P-C4' energy: -39.190
flat angles P-C4'-P energy: -30.058
tors. eta vs tors. theta energy: -58.718
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: 8
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -601.185703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.185703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.185703 (E_RNA)
where:
Base-Base interactions energy: -401.038
where: short stacking energy: -191.798
Base-Backbone interact. energy: -0.742
local terms energy: -199.406007
where:
bonds (distance) C4'-P energy: -39.974
bonds (distance) P-C4' energy: -36.162
flat angles C4'-P-C4' energy: -40.626
flat angles P-C4'-P energy: -30.482
tors. eta vs tors. theta energy: -52.162
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: 9
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -574.411382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.411382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.411382 (E_RNA)
where:
Base-Base interactions energy: -397.635
where: short stacking energy: -154.340
Base-Backbone interact. energy: -0.588
local terms energy: -176.188620
where:
bonds (distance) C4'-P energy: -31.449
bonds (distance) P-C4' energy: -30.875
flat angles C4'-P-C4' energy: -39.897
flat angles P-C4'-P energy: -31.107
tors. eta vs tors. theta energy: -42.862
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: 4
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -501.481144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.481144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.481144 (E_RNA)
where:
Base-Base interactions energy: -314.170
where: short stacking energy: -141.531
Base-Backbone interact. energy: 0.881
local terms energy: -188.192276
where:
bonds (distance) C4'-P energy: -41.897
bonds (distance) P-C4' energy: -30.951
flat angles C4'-P-C4' energy: -41.975
flat angles P-C4'-P energy: -31.997
tors. eta vs tors. theta energy: -41.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -497.050586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.050586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.050586 (E_RNA)
where:
Base-Base interactions energy: -332.439
where: short stacking energy: -161.531
Base-Backbone interact. energy: -0.710
local terms energy: -163.901491
where:
bonds (distance) C4'-P energy: -32.171
bonds (distance) P-C4' energy: -33.103
flat angles C4'-P-C4' energy: -30.777
flat angles P-C4'-P energy: -24.253
tors. eta vs tors. theta energy: -43.597
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: 10
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -382.233575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.233575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.233575 (E_RNA)
where:
Base-Base interactions energy: -245.058
where: short stacking energy: -130.373
Base-Backbone interact. energy: -0.657
local terms energy: -136.518848
where:
bonds (distance) C4'-P energy: -23.622
bonds (distance) P-C4' energy: -34.714
flat angles C4'-P-C4' energy: -25.593
flat angles P-C4'-P energy: -19.056
tors. eta vs tors. theta energy: -33.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -175.602775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.602775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.602775 (E_RNA)
where:
Base-Base interactions energy: -63.223
where: short stacking energy: -58.423
Base-Backbone interact. energy: -0.249
local terms energy: -112.130154
where:
bonds (distance) C4'-P energy: -32.141
bonds (distance) P-C4' energy: -34.726
flat angles C4'-P-C4' energy: -28.412
flat angles P-C4'-P energy: -17.549
tors. eta vs tors. theta energy: 0.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -239.210203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.210203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.210203 (E_RNA)
where:
Base-Base interactions energy: -107.357
where: short stacking energy: -64.588
Base-Backbone interact. energy: -0.949
local terms energy: -130.904392
where:
bonds (distance) C4'-P energy: -36.271
bonds (distance) P-C4' energy: -39.160
flat angles C4'-P-C4' energy: -35.378
flat angles P-C4'-P energy: -16.323
tors. eta vs tors. theta energy: -3.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -176.146384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.146384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.146384 (E_RNA)
where:
Base-Base interactions energy: -61.474
where: short stacking energy: -60.036
Base-Backbone interact. energy: -0.877
local terms energy: -113.795481
where:
bonds (distance) C4'-P energy: -39.099
bonds (distance) P-C4' energy: -31.794
flat angles C4'-P-C4' energy: -17.601
flat angles P-C4'-P energy: -17.261
tors. eta vs tors. theta energy: -8.040
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: 2
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -612.402395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.402395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.402395 (E_RNA)
where:
Base-Base interactions energy: -399.494
where: short stacking energy: -198.100
Base-Backbone interact. energy: -1.020
local terms energy: -211.888194
where:
bonds (distance) C4'-P energy: -31.328
bonds (distance) P-C4' energy: -42.123
flat angles C4'-P-C4' energy: -41.796
flat angles P-C4'-P energy: -32.070
tors. eta vs tors. theta energy: -64.571
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: 6
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -663.111791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.111791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.111791 (E_RNA)
where:
Base-Base interactions energy: -447.188
where: short stacking energy: -192.975
Base-Backbone interact. energy: -0.430
local terms energy: -215.492898
where:
bonds (distance) C4'-P energy: -41.537
bonds (distance) P-C4' energy: -41.636
flat angles C4'-P-C4' energy: -39.413
flat angles P-C4'-P energy: -30.446
tors. eta vs tors. theta energy: -62.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -586.816084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.816084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.816084 (E_RNA)
where:
Base-Base interactions energy: -389.952
where: short stacking energy: -159.687
Base-Backbone interact. energy: -1.612
local terms energy: -195.252412
where:
bonds (distance) C4'-P energy: -35.538
bonds (distance) P-C4' energy: -36.195
flat angles C4'-P-C4' energy: -43.323
flat angles P-C4'-P energy: -33.945
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: 4, replica: 8
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -563.173397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.173397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.173397 (E_RNA)
where:
Base-Base interactions energy: -362.002
where: short stacking energy: -174.247
Base-Backbone interact. energy: -0.379
local terms energy: -200.792255
where:
bonds (distance) C4'-P energy: -36.651
bonds (distance) P-C4' energy: -42.249
flat angles C4'-P-C4' energy: -39.342
flat angles P-C4'-P energy: -28.296
tors. eta vs tors. theta energy: -54.255
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: 7
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -515.901517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.901517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.901517 (E_RNA)
where:
Base-Base interactions energy: -327.831
where: short stacking energy: -150.637
Base-Backbone interact. energy: -1.093
local terms energy: -186.977571
where:
bonds (distance) C4'-P energy: -37.674
bonds (distance) P-C4' energy: -36.452
flat angles C4'-P-C4' energy: -41.494
flat angles P-C4'-P energy: -28.116
tors. eta vs tors. theta energy: -43.241
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: 6, replica: 4
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -457.316737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.316737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.316737 (E_RNA)
where:
Base-Base interactions energy: -293.397
where: short stacking energy: -130.247
Base-Backbone interact. energy: 1.827
local terms energy: -165.746720
where:
bonds (distance) C4'-P energy: -37.508
bonds (distance) P-C4' energy: -37.784
flat angles C4'-P-C4' energy: -32.826
flat angles P-C4'-P energy: -19.705
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: 7, replica: 10
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -364.909017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.909017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.909017 (E_RNA)
where:
Base-Base interactions energy: -217.791
where: short stacking energy: -116.535
Base-Backbone interact. energy: 1.809
local terms energy: -148.926658
where:
bonds (distance) C4'-P energy: -29.452
bonds (distance) P-C4' energy: -32.079
flat angles C4'-P-C4' energy: -30.597
flat angles P-C4'-P energy: -24.554
tors. eta vs tors. theta energy: -32.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -203.756585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.756585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.756585 (E_RNA)
where:
Base-Base interactions energy: -87.406
where: short stacking energy: -59.686
Base-Backbone interact. energy: -0.287
local terms energy: -116.062805
where:
bonds (distance) C4'-P energy: -36.639
bonds (distance) P-C4' energy: -30.710
flat angles C4'-P-C4' energy: -27.893
flat angles P-C4'-P energy: -22.464
tors. eta vs tors. theta energy: 1.643
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: 5
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -199.135399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.135399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.135399 (E_RNA)
where:
Base-Base interactions energy: -75.008
where: short stacking energy: -62.987
Base-Backbone interact. energy: -0.364
local terms energy: -123.763173
where:
bonds (distance) C4'-P energy: -29.145
bonds (distance) P-C4' energy: -41.141
flat angles C4'-P-C4' energy: -22.158
flat angles P-C4'-P energy: -27.380
tors. eta vs tors. theta energy: -3.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -180.192318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.192318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.192318 (E_RNA)
where:
Base-Base interactions energy: -59.652
where: short stacking energy: -48.106
Base-Backbone interact. energy: -1.843
local terms energy: -118.697624
where:
bonds (distance) C4'-P energy: -35.267
bonds (distance) P-C4' energy: -39.237
flat angles C4'-P-C4' energy: -25.887
flat angles P-C4'-P energy: -24.387
tors. eta vs tors. theta energy: 6.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -618.329266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.329266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.329266 (E_RNA)
where:
Base-Base interactions energy: -413.265
where: short stacking energy: -191.719
Base-Backbone interact. energy: -0.401
local terms energy: -204.663530
where:
bonds (distance) C4'-P energy: -41.445
bonds (distance) P-C4' energy: -34.749
flat angles C4'-P-C4' energy: -44.858
flat angles P-C4'-P energy: -26.046
tors. eta vs tors. theta energy: -57.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -658.899704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.899704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.899704 (E_RNA)
where:
Base-Base interactions energy: -444.672
where: short stacking energy: -184.784
Base-Backbone interact. energy: -0.218
local terms energy: -214.009858
where:
bonds (distance) C4'-P energy: -33.587
bonds (distance) P-C4' energy: -39.694
flat angles C4'-P-C4' energy: -49.157
flat angles P-C4'-P energy: -30.817
tors. eta vs tors. theta energy: -60.754
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: 9
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -606.310792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.310792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.310792 (E_RNA)
where:
Base-Base interactions energy: -392.560
where: short stacking energy: -173.801
Base-Backbone interact. energy: -0.764
local terms energy: -212.987374
where:
bonds (distance) C4'-P energy: -34.721
bonds (distance) P-C4' energy: -39.998
flat angles C4'-P-C4' energy: -43.012
flat angles P-C4'-P energy: -36.680
tors. eta vs tors. theta energy: -58.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -561.967741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.967741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.967741 (E_RNA)
where:
Base-Base interactions energy: -358.200
where: short stacking energy: -155.720
Base-Backbone interact. energy: -0.688
local terms energy: -203.079842
where:
bonds (distance) C4'-P energy: -39.923
bonds (distance) P-C4' energy: -38.014
flat angles C4'-P-C4' energy: -43.079
flat angles P-C4'-P energy: -31.318
tors. eta vs tors. theta energy: -50.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -506.860927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.860927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.860927 (E_RNA)
where:
Base-Base interactions energy: -315.832
where: short stacking energy: -156.250
Base-Backbone interact. energy: -0.907
local terms energy: -190.122025
where:
bonds (distance) C4'-P energy: -38.771
bonds (distance) P-C4' energy: -42.924
flat angles C4'-P-C4' energy: -33.920
flat angles P-C4'-P energy: -31.002
tors. eta vs tors. theta energy: -43.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -430.822496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.822496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.822496 (E_RNA)
where:
Base-Base interactions energy: -260.361
where: short stacking energy: -122.053
Base-Backbone interact. energy: 1.236
local terms energy: -171.697979
where:
bonds (distance) C4'-P energy: -34.560
bonds (distance) P-C4' energy: -34.558
flat angles C4'-P-C4' energy: -38.686
flat angles P-C4'-P energy: -24.722
tors. eta vs tors. theta energy: -39.171
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: 10
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -358.408639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.408639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.408639 (E_RNA)
where:
Base-Base interactions energy: -208.382
where: short stacking energy: -115.013
Base-Backbone interact. energy: -0.476
local terms energy: -149.551070
where:
bonds (distance) C4'-P energy: -28.781
bonds (distance) P-C4' energy: -46.731
flat angles C4'-P-C4' energy: -35.062
flat angles P-C4'-P energy: -16.793
tors. eta vs tors. theta energy: -22.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -192.708145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.708145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.708145 (E_RNA)
where:
Base-Base interactions energy: -74.167
where: short stacking energy: -52.721
Base-Backbone interact. energy: -0.596
local terms energy: -117.944966
where:
bonds (distance) C4'-P energy: -39.568
bonds (distance) P-C4' energy: -42.415
flat angles C4'-P-C4' energy: -27.217
flat angles P-C4'-P energy: -9.590
tors. eta vs tors. theta energy: 0.845
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: 1
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -206.843885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.843885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.843885 (E_RNA)
where:
Base-Base interactions energy: -81.738
where: short stacking energy: -45.426
Base-Backbone interact. energy: -1.376
local terms energy: -123.729581
where:
bonds (distance) C4'-P energy: -36.854
bonds (distance) P-C4' energy: -40.237
flat angles C4'-P-C4' energy: -35.254
flat angles P-C4'-P energy: -14.065
tors. eta vs tors. theta energy: 2.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -178.219760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.219760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.219760 (E_RNA)
where:
Base-Base interactions energy: -63.810
where: short stacking energy: -43.808
Base-Backbone interact. energy: -0.880
local terms energy: -113.529251
where:
bonds (distance) C4'-P energy: -35.842
bonds (distance) P-C4' energy: -38.184
flat angles C4'-P-C4' energy: -33.242
flat angles P-C4'-P energy: -7.648
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: 1, replica: 6
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -670.714211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.714211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.714211 (E_RNA)
where:
Base-Base interactions energy: -452.970
where: short stacking energy: -215.433
Base-Backbone interact. energy: -0.551
local terms energy: -217.193651
where:
bonds (distance) C4'-P energy: -36.958
bonds (distance) P-C4' energy: -43.279
flat angles C4'-P-C4' energy: -44.162
flat angles P-C4'-P energy: -27.732
tors. eta vs tors. theta energy: -65.062
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: 2
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -607.064473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.064473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.064473 (E_RNA)
where:
Base-Base interactions energy: -389.091
where: short stacking energy: -182.736
Base-Backbone interact. energy: -0.077
local terms energy: -217.896434
where:
bonds (distance) C4'-P energy: -40.486
bonds (distance) P-C4' energy: -37.996
flat angles C4'-P-C4' energy: -49.037
flat angles P-C4'-P energy: -32.260
tors. eta vs tors. theta energy: -58.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -585.703016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.703016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.703016 (E_RNA)
where:
Base-Base interactions energy: -378.994
where: short stacking energy: -192.066
Base-Backbone interact. energy: 0.508
local terms energy: -207.217686
where:
bonds (distance) C4'-P energy: -39.260
bonds (distance) P-C4' energy: -41.074
flat angles C4'-P-C4' energy: -43.161
flat angles P-C4'-P energy: -29.499
tors. eta vs tors. theta energy: -54.224
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: 9
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -589.318286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.318286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.318286 (E_RNA)
where:
Base-Base interactions energy: -382.090
where: short stacking energy: -166.500
Base-Backbone interact. energy: -0.876
local terms energy: -206.352205
where:
bonds (distance) C4'-P energy: -40.003
bonds (distance) P-C4' energy: -42.944
flat angles C4'-P-C4' energy: -45.789
flat angles P-C4'-P energy: -26.845
tors. eta vs tors. theta energy: -50.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -430.703958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.703958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.703958 (E_RNA)
where:
Base-Base interactions energy: -267.342
where: short stacking energy: -111.818
Base-Backbone interact. energy: 0.943
local terms energy: -164.305307
where:
bonds (distance) C4'-P energy: -34.518
bonds (distance) P-C4' energy: -43.507
flat angles C4'-P-C4' energy: -34.782
flat angles P-C4'-P energy: -27.476
tors. eta vs tors. theta energy: -24.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -511.288266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.288266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.288266 (E_RNA)
where:
Base-Base interactions energy: -332.238
where: short stacking energy: -154.341
Base-Backbone interact. energy: -0.726
local terms energy: -178.324402
where:
bonds (distance) C4'-P energy: -43.991
bonds (distance) P-C4' energy: -39.567
flat angles C4'-P-C4' energy: -34.320
flat angles P-C4'-P energy: -14.994
tors. eta vs tors. theta energy: -45.454
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: 10
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -374.336313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.336313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.336313 (E_RNA)
where:
Base-Base interactions energy: -224.631
where: short stacking energy: -106.322
Base-Backbone interact. energy: -1.403
local terms energy: -148.302340
where:
bonds (distance) C4'-P energy: -40.716
bonds (distance) P-C4' energy: -35.419
flat angles C4'-P-C4' energy: -28.021
flat angles P-C4'-P energy: -19.397
tors. eta vs tors. theta energy: -24.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -193.078309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.078309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.078309 (E_RNA)
where:
Base-Base interactions energy: -69.362
where: short stacking energy: -61.699
Base-Backbone interact. energy: 0.735
local terms energy: -124.451244
where:
bonds (distance) C4'-P energy: -31.965
bonds (distance) P-C4' energy: -38.037
flat angles C4'-P-C4' energy: -43.075
flat angles P-C4'-P energy: -8.380
tors. eta vs tors. theta energy: -2.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -182.392960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.392960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.392960 (E_RNA)
where:
Base-Base interactions energy: -52.706
where: short stacking energy: -51.927
Base-Backbone interact. energy: 2.353
local terms energy: -132.040755
where:
bonds (distance) C4'-P energy: -34.437
bonds (distance) P-C4' energy: -45.689
flat angles C4'-P-C4' energy: -34.069
flat angles P-C4'-P energy: -11.613
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: 10, replica: 1
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -171.376570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.376570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.376570 (E_RNA)
where:
Base-Base interactions energy: -65.101
where: short stacking energy: -53.902
Base-Backbone interact. energy: -0.531
local terms energy: -105.744281
where:
bonds (distance) C4'-P energy: -28.296
bonds (distance) P-C4' energy: -28.234
flat angles C4'-P-C4' energy: -35.697
flat angles P-C4'-P energy: -18.681
tors. eta vs tors. theta energy: 5.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -657.137810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.137810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.137810 (E_RNA)
where:
Base-Base interactions energy: -435.519
where: short stacking energy: -182.598
Base-Backbone interact. energy: -0.416
local terms energy: -221.202122
where:
bonds (distance) C4'-P energy: -42.370
bonds (distance) P-C4' energy: -45.986
flat angles C4'-P-C4' energy: -42.275
flat angles P-C4'-P energy: -31.302
tors. eta vs tors. theta energy: -59.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -601.890075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.890075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.890075 (E_RNA)
where:
Base-Base interactions energy: -392.171
where: short stacking energy: -188.325
Base-Backbone interact. energy: 0.578
local terms energy: -210.296678
where:
bonds (distance) C4'-P energy: -30.791
bonds (distance) P-C4' energy: -43.751
flat angles C4'-P-C4' energy: -45.363
flat angles P-C4'-P energy: -32.369
tors. eta vs tors. theta energy: -58.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -583.905131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.905131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.905131 (E_RNA)
where:
Base-Base interactions energy: -383.555
where: short stacking energy: -179.167
Base-Backbone interact. energy: 2.247
local terms energy: -202.596745
where:
bonds (distance) C4'-P energy: -37.132
bonds (distance) P-C4' energy: -39.471
flat angles C4'-P-C4' energy: -46.157
flat angles P-C4'-P energy: -26.474
tors. eta vs tors. theta energy: -53.363
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: 9
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -578.038626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.038626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.038626 (E_RNA)
where:
Base-Base interactions energy: -384.302
where: short stacking energy: -161.324
Base-Backbone interact. energy: -0.638
local terms energy: -193.098449
where:
bonds (distance) C4'-P energy: -41.026
bonds (distance) P-C4' energy: -40.275
flat angles C4'-P-C4' energy: -38.018
flat angles P-C4'-P energy: -27.692
tors. eta vs tors. theta energy: -46.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -428.408244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.408244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.408244 (E_RNA)
where:
Base-Base interactions energy: -271.554
where: short stacking energy: -139.949
Base-Backbone interact. energy: -0.823
local terms energy: -156.030774
where:
bonds (distance) C4'-P energy: -30.179
bonds (distance) P-C4' energy: -34.807
flat angles C4'-P-C4' energy: -35.986
flat angles P-C4'-P energy: -22.541
tors. eta vs tors. theta energy: -32.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -506.133953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.133953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.133953 (E_RNA)
where:
Base-Base interactions energy: -314.172
where: short stacking energy: -136.012
Base-Backbone interact. energy: -0.188
local terms energy: -191.774598
where:
bonds (distance) C4'-P energy: -35.674
bonds (distance) P-C4' energy: -38.130
flat angles C4'-P-C4' energy: -46.576
flat angles P-C4'-P energy: -31.219
tors. eta vs tors. theta energy: -40.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -403.593113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.593113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.593113 (E_RNA)
where:
Base-Base interactions energy: -260.915
where: short stacking energy: -117.499
Base-Backbone interact. energy: -0.216
local terms energy: -142.462060
where:
bonds (distance) C4'-P energy: -35.150
bonds (distance) P-C4' energy: -35.592
flat angles C4'-P-C4' energy: -29.771
flat angles P-C4'-P energy: -9.196
tors. eta vs tors. theta energy: -32.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -219.507120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.507120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.507120 (E_RNA)
where:
Base-Base interactions energy: -77.987
where: short stacking energy: -50.432
Base-Backbone interact. energy: 0.710
local terms energy: -142.230120
where:
bonds (distance) C4'-P energy: -41.018
bonds (distance) P-C4' energy: -34.489
flat angles C4'-P-C4' energy: -30.852
flat angles P-C4'-P energy: -27.416
tors. eta vs tors. theta energy: -8.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -193.805674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.805674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.805674 (E_RNA)
where:
Base-Base interactions energy: -76.655
where: short stacking energy: -71.658
Base-Backbone interact. energy: -1.717
local terms energy: -115.433116
where:
bonds (distance) C4'-P energy: -31.191
bonds (distance) P-C4' energy: -38.464
flat angles C4'-P-C4' energy: -29.105
flat angles P-C4'-P energy: -17.301
tors. eta vs tors. theta energy: 0.628
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: 1
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -170.159286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.159286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.159286 (E_RNA)
where:
Base-Base interactions energy: -62.606
where: short stacking energy: -44.281
Base-Backbone interact. energy: -0.529
local terms energy: -107.023931
where:
bonds (distance) C4'-P energy: -31.789
bonds (distance) P-C4' energy: -35.633
flat angles C4'-P-C4' energy: -31.912
flat angles P-C4'-P energy: -14.295
tors. eta vs tors. theta energy: 6.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -664.602488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.602488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.602488 (E_RNA)
where:
Base-Base interactions energy: -442.217
where: short stacking energy: -215.580
Base-Backbone interact. energy: -0.646
local terms energy: -221.739410
where:
bonds (distance) C4'-P energy: -41.122
bonds (distance) P-C4' energy: -40.709
flat angles C4'-P-C4' energy: -46.311
flat angles P-C4'-P energy: -27.199
tors. eta vs tors. theta energy: -66.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -619.574065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.574065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.574065 (E_RNA)
where:
Base-Base interactions energy: -403.462
where: short stacking energy: -191.567
Base-Backbone interact. energy: -0.702
local terms energy: -215.410438
where:
bonds (distance) C4'-P energy: -39.847
bonds (distance) P-C4' energy: -41.772
flat angles C4'-P-C4' energy: -42.156
flat angles P-C4'-P energy: -28.140
tors. eta vs tors. theta energy: -63.496
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: 9
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -599.329970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.329970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.329970 (E_RNA)
where:
Base-Base interactions energy: -400.742
where: short stacking energy: -186.032
Base-Backbone interact. energy: -1.885
local terms energy: -196.703432
where:
bonds (distance) C4'-P energy: -34.709
bonds (distance) P-C4' energy: -40.985
flat angles C4'-P-C4' energy: -35.804
flat angles P-C4'-P energy: -26.366
tors. eta vs tors. theta energy: -58.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -569.718971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.718971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.718971 (E_RNA)
where:
Base-Base interactions energy: -380.152
where: short stacking energy: -172.590
Base-Backbone interact. energy: -0.095
local terms energy: -189.471958
where:
bonds (distance) C4'-P energy: -37.235
bonds (distance) P-C4' energy: -32.948
flat angles C4'-P-C4' energy: -41.849
flat angles P-C4'-P energy: -25.662
tors. eta vs tors. theta energy: -51.779
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: 7
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -508.316498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.316498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.316498 (E_RNA)
where:
Base-Base interactions energy: -343.246
where: short stacking energy: -152.006
Base-Backbone interact. energy: -0.562
local terms energy: -164.508750
where:
bonds (distance) C4'-P energy: -30.160
bonds (distance) P-C4' energy: -45.243
flat angles C4'-P-C4' energy: -30.968
flat angles P-C4'-P energy: -19.373
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: 6, replica: 4
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -396.346651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.346651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.346651 (E_RNA)
where:
Base-Base interactions energy: -238.982
where: short stacking energy: -110.965
Base-Backbone interact. energy: 0.302
local terms energy: -157.666979
where:
bonds (distance) C4'-P energy: -37.987
bonds (distance) P-C4' energy: -39.289
flat angles C4'-P-C4' energy: -37.274
flat angles P-C4'-P energy: -20.759
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: 10
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -357.573396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.573396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.573396 (E_RNA)
where:
Base-Base interactions energy: -208.463
where: short stacking energy: -110.636
Base-Backbone interact. energy: 0.224
local terms energy: -149.334367
where:
bonds (distance) C4'-P energy: -36.493
bonds (distance) P-C4' energy: -35.254
flat angles C4'-P-C4' energy: -34.222
flat angles P-C4'-P energy: -14.171
tors. eta vs tors. theta energy: -29.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -217.729066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.729066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.729066 (E_RNA)
where:
Base-Base interactions energy: -90.568
where: short stacking energy: -63.297
Base-Backbone interact. energy: 1.879
local terms energy: -129.039444
where:
bonds (distance) C4'-P energy: -30.518
bonds (distance) P-C4' energy: -40.491
flat angles C4'-P-C4' energy: -30.668
flat angles P-C4'-P energy: -24.640
tors. eta vs tors. theta energy: -2.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -190.060855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.060855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.060855 (E_RNA)
where:
Base-Base interactions energy: -64.648
where: short stacking energy: -55.198
Base-Backbone interact. energy: -0.168
local terms energy: -125.245519
where:
bonds (distance) C4'-P energy: -35.542
bonds (distance) P-C4' energy: -31.112
flat angles C4'-P-C4' energy: -31.906
flat angles P-C4'-P energy: -20.630
tors. eta vs tors. theta energy: -6.055
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: 10, replica: 1
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -165.366468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.366468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.366468 (E_RNA)
where:
Base-Base interactions energy: -54.246
where: short stacking energy: -37.217
Base-Backbone interact. energy: -0.119
local terms energy: -111.002144
where:
bonds (distance) C4'-P energy: -36.923
bonds (distance) P-C4' energy: -40.330
flat angles C4'-P-C4' energy: -23.963
flat angles P-C4'-P energy: -15.107
tors. eta vs tors. theta energy: 5.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -676.914547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.914547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.914547 (E_RNA)
where:
Base-Base interactions energy: -448.880
where: short stacking energy: -206.665
Base-Backbone interact. energy: -0.045
local terms energy: -227.989146
where:
bonds (distance) C4'-P energy: -46.019
bonds (distance) P-C4' energy: -44.992
flat angles C4'-P-C4' energy: -39.483
flat angles P-C4'-P energy: -28.830
tors. eta vs tors. theta energy: -68.666
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: 9
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -604.081587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.081587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.081587 (E_RNA)
where:
Base-Base interactions energy: -410.402
where: short stacking energy: -180.857
Base-Backbone interact. energy: 2.029
local terms energy: -195.708376
where:
bonds (distance) C4'-P energy: -34.312
bonds (distance) P-C4' energy: -28.432
flat angles C4'-P-C4' energy: -40.185
flat angles P-C4'-P energy: -31.570
tors. eta vs tors. theta energy: -61.209
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: 8
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -605.368801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.368801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.368801 (E_RNA)
where:
Base-Base interactions energy: -390.590
where: short stacking energy: -202.081
Base-Backbone interact. energy: -0.590
local terms energy: -214.188464
where:
bonds (distance) C4'-P energy: -40.182
bonds (distance) P-C4' energy: -41.508
flat angles C4'-P-C4' energy: -45.909
flat angles P-C4'-P energy: -21.360
tors. eta vs tors. theta energy: -65.229
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: 2
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -551.055505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.055505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.055505 (E_RNA)
where:
Base-Base interactions energy: -347.337
where: short stacking energy: -153.093
Base-Backbone interact. energy: -0.786
local terms energy: -202.932339
where:
bonds (distance) C4'-P energy: -39.642
bonds (distance) P-C4' energy: -37.708
flat angles C4'-P-C4' energy: -43.471
flat angles P-C4'-P energy: -30.459
tors. eta vs tors. theta energy: -51.652
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: 5, replica: 7
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -532.495061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.495061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.495061 (E_RNA)
where:
Base-Base interactions energy: -347.561
where: short stacking energy: -164.507
Base-Backbone interact. energy: -0.034
local terms energy: -184.900443
where:
bonds (distance) C4'-P energy: -35.350
bonds (distance) P-C4' energy: -40.799
flat angles C4'-P-C4' energy: -32.857
flat angles P-C4'-P energy: -29.603
tors. eta vs tors. theta energy: -46.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -402.331694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.331694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.331694 (E_RNA)
where:
Base-Base interactions energy: -255.341
where: short stacking energy: -110.443
Base-Backbone interact. energy: -2.348
local terms energy: -144.642533
where:
bonds (distance) C4'-P energy: -26.966
bonds (distance) P-C4' energy: -36.181
flat angles C4'-P-C4' energy: -32.850
flat angles P-C4'-P energy: -24.021
tors. eta vs tors. theta energy: -24.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -372.742776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.742776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.742776 (E_RNA)
where:
Base-Base interactions energy: -212.091
where: short stacking energy: -99.654
Base-Backbone interact. energy: -1.067
local terms energy: -159.584542
where:
bonds (distance) C4'-P energy: -36.884
bonds (distance) P-C4' energy: -32.824
flat angles C4'-P-C4' energy: -35.217
flat angles P-C4'-P energy: -32.650
tors. eta vs tors. theta energy: -22.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -199.656473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.656473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.656473 (E_RNA)
where:
Base-Base interactions energy: -71.422
where: short stacking energy: -63.708
Base-Backbone interact. energy: -1.063
local terms energy: -127.171708
where:
bonds (distance) C4'-P energy: -35.726
bonds (distance) P-C4' energy: -33.967
flat angles C4'-P-C4' energy: -33.861
flat angles P-C4'-P energy: -23.137
tors. eta vs tors. theta energy: -0.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -195.142349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.142349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.142349 (E_RNA)
where:
Base-Base interactions energy: -72.208
where: short stacking energy: -58.499
Base-Backbone interact. energy: 1.306
local terms energy: -124.240314
where:
bonds (distance) C4'-P energy: -37.121
bonds (distance) P-C4' energy: -34.005
flat angles C4'-P-C4' energy: -27.568
flat angles P-C4'-P energy: -18.705
tors. eta vs tors. theta energy: -6.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -166.759246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.759246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.759246 (E_RNA)
where:
Base-Base interactions energy: -45.045
where: short stacking energy: -38.310
Base-Backbone interact. energy: 2.379
local terms energy: -124.093394
where:
bonds (distance) C4'-P energy: -34.120
bonds (distance) P-C4' energy: -40.012
flat angles C4'-P-C4' energy: -34.291
flat angles P-C4'-P energy: -16.414
tors. eta vs tors. theta energy: 0.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -618.535567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.535567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.535567 (E_RNA)
where:
Base-Base interactions energy: -416.430
where: short stacking energy: -186.920
Base-Backbone interact. energy: -0.888
local terms energy: -201.217237
where:
bonds (distance) C4'-P energy: -40.718
bonds (distance) P-C4' energy: -35.632
flat angles C4'-P-C4' energy: -41.474
flat angles P-C4'-P energy: -32.333
tors. eta vs tors. theta energy: -51.059
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: 6
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -666.522211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.522211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.522211 (E_RNA)
where:
Base-Base interactions energy: -438.980
where: short stacking energy: -205.361
Base-Backbone interact. energy: -0.372
local terms energy: -227.170338
where:
bonds (distance) C4'-P energy: -34.811
bonds (distance) P-C4' energy: -49.161
flat angles C4'-P-C4' energy: -47.026
flat angles P-C4'-P energy: -33.468
tors. eta vs tors. theta energy: -62.704
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: 2
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -579.844905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.844905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.844905 (E_RNA)
where:
Base-Base interactions energy: -387.534
where: short stacking energy: -177.552
Base-Backbone interact. energy: 0.097
local terms energy: -192.408504
where:
bonds (distance) C4'-P energy: -32.132
bonds (distance) P-C4' energy: -43.353
flat angles C4'-P-C4' energy: -36.256
flat angles P-C4'-P energy: -30.381
tors. eta vs tors. theta energy: -50.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -589.948269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.948269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.948269 (E_RNA)
where:
Base-Base interactions energy: -376.963
where: short stacking energy: -188.297
Base-Backbone interact. energy: -0.155
local terms energy: -212.831180
where:
bonds (distance) C4'-P energy: -37.269
bonds (distance) P-C4' energy: -39.907
flat angles C4'-P-C4' energy: -42.450
flat angles P-C4'-P energy: -33.681
tors. eta vs tors. theta energy: -59.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -542.970348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.970348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.970348 (E_RNA)
where:
Base-Base interactions energy: -353.600
where: short stacking energy: -170.893
Base-Backbone interact. energy: -0.112
local terms energy: -189.258407
where:
bonds (distance) C4'-P energy: -28.467
bonds (distance) P-C4' energy: -35.961
flat angles C4'-P-C4' energy: -41.011
flat angles P-C4'-P energy: -30.774
tors. eta vs tors. theta energy: -53.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -419.877855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.877855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.877855 (E_RNA)
where:
Base-Base interactions energy: -249.673
where: short stacking energy: -109.072
Base-Backbone interact. energy: -1.337
local terms energy: -168.868064
where:
bonds (distance) C4'-P energy: -40.663
bonds (distance) P-C4' energy: -39.192
flat angles C4'-P-C4' energy: -37.288
flat angles P-C4'-P energy: -19.993
tors. eta vs tors. theta energy: -31.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -358.013811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.013811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.013811 (E_RNA)
where:
Base-Base interactions energy: -201.972
where: short stacking energy: -99.732
Base-Backbone interact. energy: -1.202
local terms energy: -154.839993
where:
bonds (distance) C4'-P energy: -42.224
bonds (distance) P-C4' energy: -31.552
flat angles C4'-P-C4' energy: -35.219
flat angles P-C4'-P energy: -26.601
tors. eta vs tors. theta energy: -19.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -242.093831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.093831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.093831 (E_RNA)
where:
Base-Base interactions energy: -103.306
where: short stacking energy: -58.585
Base-Backbone interact. energy: 2.165
local terms energy: -140.953451
where:
bonds (distance) C4'-P energy: -37.709
bonds (distance) P-C4' energy: -39.183
flat angles C4'-P-C4' energy: -35.770
flat angles P-C4'-P energy: -24.557
tors. eta vs tors. theta energy: -3.735
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: 5
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -185.664077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.664077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.664077 (E_RNA)
where:
Base-Base interactions energy: -56.997
where: short stacking energy: -55.194
Base-Backbone interact. energy: 2.409
local terms energy: -131.076196
where:
bonds (distance) C4'-P energy: -25.351
bonds (distance) P-C4' energy: -37.874
flat angles C4'-P-C4' energy: -36.529
flat angles P-C4'-P energy: -25.549
tors. eta vs tors. theta energy: -5.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -183.999928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.999928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.999928 (E_RNA)
where:
Base-Base interactions energy: -68.528
where: short stacking energy: -39.235
Base-Backbone interact. energy: -1.088
local terms energy: -114.383547
where:
bonds (distance) C4'-P energy: -29.331
bonds (distance) P-C4' energy: -40.962
flat angles C4'-P-C4' energy: -32.210
flat angles P-C4'-P energy: -22.132
tors. eta vs tors. theta energy: 10.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -649.565150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.565150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.565150 (E_RNA)
where:
Base-Base interactions energy: -448.070
where: short stacking energy: -188.781
Base-Backbone interact. energy: -1.703
local terms energy: -199.793003
where:
bonds (distance) C4'-P energy: -42.547
bonds (distance) P-C4' energy: -43.588
flat angles C4'-P-C4' energy: -38.000
flat angles P-C4'-P energy: -25.598
tors. eta vs tors. theta energy: -50.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -652.931421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.931421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.931421 (E_RNA)
where:
Base-Base interactions energy: -438.601
where: short stacking energy: -210.799
Base-Backbone interact. energy: -0.996
local terms energy: -213.333871
where:
bonds (distance) C4'-P energy: -33.603
bonds (distance) P-C4' energy: -34.223
flat angles C4'-P-C4' energy: -46.715
flat angles P-C4'-P energy: -30.662
tors. eta vs tors. theta energy: -68.130
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: 2
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -576.514608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.514608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.514608 (E_RNA)
where:
Base-Base interactions energy: -366.035
where: short stacking energy: -174.887
Base-Backbone interact. energy: -0.415
local terms energy: -210.065067
where:
bonds (distance) C4'-P energy: -39.419
bonds (distance) P-C4' energy: -40.692
flat angles C4'-P-C4' energy: -42.795
flat angles P-C4'-P energy: -32.284
tors. eta vs tors. theta energy: -54.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -580.104397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.104397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.104397 (E_RNA)
where:
Base-Base interactions energy: -383.174
where: short stacking energy: -179.038
Base-Backbone interact. energy: -0.885
local terms energy: -196.045373
where:
bonds (distance) C4'-P energy: -36.027
bonds (distance) P-C4' energy: -36.649
flat angles C4'-P-C4' energy: -36.753
flat angles P-C4'-P energy: -32.418
tors. eta vs tors. theta energy: -54.198
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: 5, replica: 7
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -499.357760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.357760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.357760 (E_RNA)
where:
Base-Base interactions energy: -313.647
where: short stacking energy: -156.906
Base-Backbone interact. energy: 4.248
local terms energy: -189.959526
where:
bonds (distance) C4'-P energy: -31.262
bonds (distance) P-C4' energy: -37.630
flat angles C4'-P-C4' energy: -45.639
flat angles P-C4'-P energy: -28.670
tors. eta vs tors. theta energy: -46.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -391.751092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.751092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.751092 (E_RNA)
where:
Base-Base interactions energy: -245.151
where: short stacking energy: -95.937
Base-Backbone interact. energy: -1.467
local terms energy: -145.132846
where:
bonds (distance) C4'-P energy: -33.611
bonds (distance) P-C4' energy: -32.701
flat angles C4'-P-C4' energy: -35.129
flat angles P-C4'-P energy: -24.716
tors. eta vs tors. theta energy: -18.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -363.120518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.120518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.120518 (E_RNA)
where:
Base-Base interactions energy: -219.731
where: short stacking energy: -94.553
Base-Backbone interact. energy: -0.752
local terms energy: -142.637130
where:
bonds (distance) C4'-P energy: -38.651
bonds (distance) P-C4' energy: -29.833
flat angles C4'-P-C4' energy: -36.157
flat angles P-C4'-P energy: -15.596
tors. eta vs tors. theta energy: -22.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -242.488072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.488072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.488072 (E_RNA)
where:
Base-Base interactions energy: -98.925
where: short stacking energy: -60.326
Base-Backbone interact. energy: 0.364
local terms energy: -143.927173
where:
bonds (distance) C4'-P energy: -38.837
bonds (distance) P-C4' energy: -39.783
flat angles C4'-P-C4' energy: -34.066
flat angles P-C4'-P energy: -23.837
tors. eta vs tors. theta energy: -7.404
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: 101
Temperature: 1.300000
Total energy: -176.782752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.782752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.782752 (E_RNA)
where:
Base-Base interactions energy: -65.696
where: short stacking energy: -46.786
Base-Backbone interact. energy: 0.979
local terms energy: -112.065462
where:
bonds (distance) C4'-P energy: -36.222
bonds (distance) P-C4' energy: -39.451
flat angles C4'-P-C4' energy: -19.832
flat angles P-C4'-P energy: -20.783
tors. eta vs tors. theta energy: 4.222
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: 1
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -165.073839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.073839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.073839 (E_RNA)
where:
Base-Base interactions energy: -61.331
where: short stacking energy: -46.384
Base-Backbone interact. energy: 2.760
local terms energy: -106.502738
where:
bonds (distance) C4'-P energy: -25.587
bonds (distance) P-C4' energy: -34.722
flat angles C4'-P-C4' energy: -27.829
flat angles P-C4'-P energy: -19.022
tors. eta vs tors. theta energy: 0.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -666.708921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.708921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.708921 (E_RNA)
where:
Base-Base interactions energy: -443.137
where: short stacking energy: -198.293
Base-Backbone interact. energy: -0.378
local terms energy: -223.194210
where:
bonds (distance) C4'-P energy: -41.880
bonds (distance) P-C4' energy: -43.604
flat angles C4'-P-C4' energy: -43.980
flat angles P-C4'-P energy: -29.768
tors. eta vs tors. theta energy: -63.962
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: 9
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -620.855794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.855794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.855794 (E_RNA)
where:
Base-Base interactions energy: -419.762
where: short stacking energy: -171.681
Base-Backbone interact. energy: -1.696
local terms energy: -199.397250
where:
bonds (distance) C4'-P energy: -33.236
bonds (distance) P-C4' energy: -40.045
flat angles C4'-P-C4' energy: -42.640
flat angles P-C4'-P energy: -32.167
tors. eta vs tors. theta energy: -51.309
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: 2
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -582.783903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.783903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.783903 (E_RNA)
where:
Base-Base interactions energy: -372.976
where: short stacking energy: -171.845
Base-Backbone interact. energy: -0.267
local terms energy: -209.541376
where:
bonds (distance) C4'-P energy: -37.601
bonds (distance) P-C4' energy: -38.919
flat angles C4'-P-C4' energy: -40.764
flat angles P-C4'-P energy: -31.102
tors. eta vs tors. theta energy: -61.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -581.123182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.123182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.123182 (E_RNA)
where:
Base-Base interactions energy: -380.763
where: short stacking energy: -176.630
Base-Backbone interact. energy: -0.540
local terms energy: -199.820774
where:
bonds (distance) C4'-P energy: -32.693
bonds (distance) P-C4' energy: -41.435
flat angles C4'-P-C4' energy: -45.552
flat angles P-C4'-P energy: -23.689
tors. eta vs tors. theta energy: -56.452
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: 7
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -508.004744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.004744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.004744 (E_RNA)
where:
Base-Base interactions energy: -323.345
where: short stacking energy: -158.512
Base-Backbone interact. energy: -0.822
local terms energy: -183.837666
where:
bonds (distance) C4'-P energy: -35.995
bonds (distance) P-C4' energy: -31.230
flat angles C4'-P-C4' energy: -41.356
flat angles P-C4'-P energy: -30.369
tors. eta vs tors. theta energy: -44.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -402.849410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.849410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.849410 (E_RNA)
where:
Base-Base interactions energy: -246.514
where: short stacking energy: -111.914
Base-Backbone interact. energy: 0.920
local terms energy: -157.254862
where:
bonds (distance) C4'-P energy: -26.339
bonds (distance) P-C4' energy: -44.224
flat angles C4'-P-C4' energy: -33.932
flat angles P-C4'-P energy: -24.942
tors. eta vs tors. theta energy: -27.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -359.303049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.303049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.303049 (E_RNA)
where:
Base-Base interactions energy: -205.326
where: short stacking energy: -109.380
Base-Backbone interact. energy: 0.538
local terms energy: -154.514940
where:
bonds (distance) C4'-P energy: -37.728
bonds (distance) P-C4' energy: -37.346
flat angles C4'-P-C4' energy: -37.268
flat angles P-C4'-P energy: -21.238
tors. eta vs tors. theta energy: -20.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -255.343080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.343080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.343080 (E_RNA)
where:
Base-Base interactions energy: -122.069
where: short stacking energy: -74.493
Base-Backbone interact. energy: 0.039
local terms energy: -133.312480
where:
bonds (distance) C4'-P energy: -35.111
bonds (distance) P-C4' energy: -30.825
flat angles C4'-P-C4' energy: -31.851
flat angles P-C4'-P energy: -26.213
tors. eta vs tors. theta energy: -9.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -182.134971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.134971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.134971 (E_RNA)
where:
Base-Base interactions energy: -65.363
where: short stacking energy: -58.500
Base-Backbone interact. energy: -0.473
local terms energy: -116.298411
where:
bonds (distance) C4'-P energy: -33.977
bonds (distance) P-C4' energy: -37.297
flat angles C4'-P-C4' energy: -32.996
flat angles P-C4'-P energy: -12.786
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: 5
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -168.935001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.935001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.935001 (E_RNA)
where:
Base-Base interactions energy: -49.128
where: short stacking energy: -42.572
Base-Backbone interact. energy: 0.499
local terms energy: -120.306117
where:
bonds (distance) C4'-P energy: -41.674
bonds (distance) P-C4' energy: -40.959
flat angles C4'-P-C4' energy: -11.149
flat angles P-C4'-P energy: -28.550
tors. eta vs tors. theta energy: 2.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -645.534718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.534718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.534718 (E_RNA)
where:
Base-Base interactions energy: -430.095
where: short stacking energy: -192.370
Base-Backbone interact. energy: -0.833
local terms energy: -214.606725
where:
bonds (distance) C4'-P energy: -34.829
bonds (distance) P-C4' energy: -40.666
flat angles C4'-P-C4' energy: -47.285
flat angles P-C4'-P energy: -33.532
tors. eta vs tors. theta energy: -58.295
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: 2
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -612.201394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.201394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.201394 (E_RNA)
where:
Base-Base interactions energy: -396.645
where: short stacking energy: -195.147
Base-Backbone interact. energy: -0.053
local terms energy: -215.504228
where:
bonds (distance) C4'-P energy: -38.849
bonds (distance) P-C4' energy: -41.628
flat angles C4'-P-C4' energy: -35.991
flat angles P-C4'-P energy: -32.830
tors. eta vs tors. theta energy: -66.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -595.849502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.849502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.849502 (E_RNA)
where:
Base-Base interactions energy: -421.213
where: short stacking energy: -163.988
Base-Backbone interact. energy: -2.290
local terms energy: -172.347090
where:
bonds (distance) C4'-P energy: -32.334
bonds (distance) P-C4' energy: -30.566
flat angles C4'-P-C4' energy: -33.945
flat angles P-C4'-P energy: -24.670
tors. eta vs tors. theta energy: -50.833
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: 8
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -591.277156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.277156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.277156 (E_RNA)
where:
Base-Base interactions energy: -391.735
where: short stacking energy: -187.744
Base-Backbone interact. energy: -1.213
local terms energy: -198.329201
where:
bonds (distance) C4'-P energy: -32.952
bonds (distance) P-C4' energy: -36.668
flat angles C4'-P-C4' energy: -43.767
flat angles P-C4'-P energy: -29.549
tors. eta vs tors. theta energy: -55.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -564.422295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.422295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.422295 (E_RNA)
where:
Base-Base interactions energy: -367.896
where: short stacking energy: -162.294
Base-Backbone interact. energy: -0.635
local terms energy: -195.891561
where:
bonds (distance) C4'-P energy: -29.010
bonds (distance) P-C4' energy: -43.524
flat angles C4'-P-C4' energy: -49.886
flat angles P-C4'-P energy: -24.678
tors. eta vs tors. theta energy: -48.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -410.598644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.598644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.598644 (E_RNA)
where:
Base-Base interactions energy: -251.675
where: short stacking energy: -134.173
Base-Backbone interact. energy: -0.817
local terms energy: -158.106001
where:
bonds (distance) C4'-P energy: -36.528
bonds (distance) P-C4' energy: -34.443
flat angles C4'-P-C4' energy: -37.171
flat angles P-C4'-P energy: -23.935
tors. eta vs tors. theta energy: -26.030
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: 10
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -349.214534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.214534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.214534 (E_RNA)
where:
Base-Base interactions energy: -187.433
where: short stacking energy: -101.005
Base-Backbone interact. energy: 0.273
local terms energy: -162.054514
where:
bonds (distance) C4'-P energy: -37.918
bonds (distance) P-C4' energy: -38.979
flat angles C4'-P-C4' energy: -36.039
flat angles P-C4'-P energy: -22.937
tors. eta vs tors. theta energy: -26.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -276.079561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.079561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.079561 (E_RNA)
where:
Base-Base interactions energy: -134.065
where: short stacking energy: -69.795
Base-Backbone interact. energy: -1.579
local terms energy: -140.435958
where:
bonds (distance) C4'-P energy: -39.480
bonds (distance) P-C4' energy: -40.432
flat angles C4'-P-C4' energy: -30.492
flat angles P-C4'-P energy: -20.846
tors. eta vs tors. theta energy: -9.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -174.111734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.111734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.111734 (E_RNA)
where:
Base-Base interactions energy: -55.183
where: short stacking energy: -32.701
Base-Backbone interact. energy: 1.102
local terms energy: -120.030875
where:
bonds (distance) C4'-P energy: -32.587
bonds (distance) P-C4' energy: -38.034
flat angles C4'-P-C4' energy: -30.799
flat angles P-C4'-P energy: -23.278
tors. eta vs tors. theta energy: 4.667
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: 5
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -177.377043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.377043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.377043 (E_RNA)
where:
Base-Base interactions energy: -59.632
where: short stacking energy: -53.770
Base-Backbone interact. energy: -0.383
local terms energy: -117.361954
where:
bonds (distance) C4'-P energy: -33.827
bonds (distance) P-C4' energy: -32.638
flat angles C4'-P-C4' energy: -28.735
flat angles P-C4'-P energy: -16.197
tors. eta vs tors. theta energy: -5.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -623.130749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.130749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.130749 (E_RNA)
where:
Base-Base interactions energy: -397.736
where: short stacking energy: -185.301
Base-Backbone interact. energy: -0.042
local terms energy: -225.353218
where:
bonds (distance) C4'-P energy: -40.533
bonds (distance) P-C4' energy: -41.562
flat angles C4'-P-C4' energy: -46.468
flat angles P-C4'-P energy: -30.018
tors. eta vs tors. theta energy: -66.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -632.896059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.896059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.896059 (E_RNA)
where:
Base-Base interactions energy: -409.320
where: short stacking energy: -175.621
Base-Backbone interact. energy: -0.209
local terms energy: -223.366943
where:
bonds (distance) C4'-P energy: -43.495
bonds (distance) P-C4' energy: -45.018
flat angles C4'-P-C4' energy: -41.304
flat angles P-C4'-P energy: -32.274
tors. eta vs tors. theta energy: -61.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -579.587521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.587521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.587521 (E_RNA)
where:
Base-Base interactions energy: -374.991
where: short stacking energy: -174.560
Base-Backbone interact. energy: -0.695
local terms energy: -203.902042
where:
bonds (distance) C4'-P energy: -36.416
bonds (distance) P-C4' energy: -31.011
flat angles C4'-P-C4' energy: -43.843
flat angles P-C4'-P energy: -36.912
tors. eta vs tors. theta energy: -55.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -569.590735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.590735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.590735 (E_RNA)
where:
Base-Base interactions energy: -384.585
where: short stacking energy: -185.740
Base-Backbone interact. energy: 3.076
local terms energy: -188.082384
where:
bonds (distance) C4'-P energy: -24.722
bonds (distance) P-C4' energy: -35.659
flat angles C4'-P-C4' energy: -45.991
flat angles P-C4'-P energy: -22.814
tors. eta vs tors. theta energy: -58.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -547.103859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.103859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.103859 (E_RNA)
where:
Base-Base interactions energy: -365.764
where: short stacking energy: -168.175
Base-Backbone interact. energy: 0.923
local terms energy: -182.263627
where:
bonds (distance) C4'-P energy: -35.201
bonds (distance) P-C4' energy: -36.059
flat angles C4'-P-C4' energy: -43.747
flat angles P-C4'-P energy: -25.093
tors. eta vs tors. theta energy: -42.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -404.735835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.735835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.735835 (E_RNA)
where:
Base-Base interactions energy: -222.910
where: short stacking energy: -114.873
Base-Backbone interact. energy: -0.485
local terms energy: -181.340202
where:
bonds (distance) C4'-P energy: -37.730
bonds (distance) P-C4' energy: -46.574
flat angles C4'-P-C4' energy: -33.597
flat angles P-C4'-P energy: -30.546
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: 10
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -336.771958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.771958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.771958 (E_RNA)
where:
Base-Base interactions energy: -200.633
where: short stacking energy: -82.531
Base-Backbone interact. energy: 0.113
local terms energy: -136.252153
where:
bonds (distance) C4'-P energy: -29.308
bonds (distance) P-C4' energy: -44.350
flat angles C4'-P-C4' energy: -34.298
flat angles P-C4'-P energy: -14.227
tors. eta vs tors. theta energy: -14.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -290.452343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.452343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.452343 (E_RNA)
where:
Base-Base interactions energy: -157.418
where: short stacking energy: -94.658
Base-Backbone interact. energy: -0.146
local terms energy: -132.888215
where:
bonds (distance) C4'-P energy: -30.082
bonds (distance) P-C4' energy: -42.401
flat angles C4'-P-C4' energy: -24.711
flat angles P-C4'-P energy: -9.117
tors. eta vs tors. theta energy: -26.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -191.652682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.652682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.652682 (E_RNA)
where:
Base-Base interactions energy: -74.237
where: short stacking energy: -48.569
Base-Backbone interact. energy: 1.757
local terms energy: -119.172461
where:
bonds (distance) C4'-P energy: -34.874
bonds (distance) P-C4' energy: -36.946
flat angles C4'-P-C4' energy: -25.612
flat angles P-C4'-P energy: -21.838
tors. eta vs tors. theta energy: 0.097
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: 1
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -171.418352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.418352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.418352 (E_RNA)
where:
Base-Base interactions energy: -63.770
where: short stacking energy: -52.848
Base-Backbone interact. energy: 0.392
local terms energy: -108.040658
where:
bonds (distance) C4'-P energy: -30.108
bonds (distance) P-C4' energy: -27.757
flat angles C4'-P-C4' energy: -39.482
flat angles P-C4'-P energy: -15.271
tors. eta vs tors. theta energy: 4.578
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: 105
Temperature: 0.900000
Total energy: -629.719622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.719622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.719622 (E_RNA)
where:
Base-Base interactions energy: -415.846
where: short stacking energy: -195.992
Base-Backbone interact. energy: -0.666
local terms energy: -213.206660
where:
bonds (distance) C4'-P energy: -33.868
bonds (distance) P-C4' energy: -41.525
flat angles C4'-P-C4' energy: -44.686
flat angles P-C4'-P energy: -32.714
tors. eta vs tors. theta energy: -60.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -643.300664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.300664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.300664 (E_RNA)
where:
Base-Base interactions energy: -426.546
where: short stacking energy: -194.273
Base-Backbone interact. energy: -1.355
local terms energy: -215.399432
where:
bonds (distance) C4'-P energy: -41.905
bonds (distance) P-C4' energy: -37.910
flat angles C4'-P-C4' energy: -44.023
flat angles P-C4'-P energy: -31.916
tors. eta vs tors. theta energy: -59.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -587.115712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.115712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.115712 (E_RNA)
where:
Base-Base interactions energy: -374.938
where: short stacking energy: -175.659
Base-Backbone interact. energy: -0.071
local terms energy: -212.106426
where:
bonds (distance) C4'-P energy: -37.618
bonds (distance) P-C4' energy: -47.503
flat angles C4'-P-C4' energy: -43.769
flat angles P-C4'-P energy: -34.024
tors. eta vs tors. theta energy: -49.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -587.169765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.169765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.169765 (E_RNA)
where:
Base-Base interactions energy: -390.823
where: short stacking energy: -173.275
Base-Backbone interact. energy: 0.977
local terms energy: -197.323611
where:
bonds (distance) C4'-P energy: -42.229
bonds (distance) P-C4' energy: -33.104
flat angles C4'-P-C4' energy: -37.862
flat angles P-C4'-P energy: -29.919
tors. eta vs tors. theta energy: -54.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -564.162463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.162463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.162463 (E_RNA)
where:
Base-Base interactions energy: -368.582
where: short stacking energy: -178.309
Base-Backbone interact. energy: -0.216
local terms energy: -195.364313
where:
bonds (distance) C4'-P energy: -37.380
bonds (distance) P-C4' energy: -39.422
flat angles C4'-P-C4' energy: -41.796
flat angles P-C4'-P energy: -28.212
tors. eta vs tors. theta energy: -48.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -395.686617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.686617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.686617 (E_RNA)
where:
Base-Base interactions energy: -244.499
where: short stacking energy: -114.214
Base-Backbone interact. energy: -0.093
local terms energy: -151.094926
where:
bonds (distance) C4'-P energy: -37.670
bonds (distance) P-C4' energy: -35.133
flat angles C4'-P-C4' energy: -32.400
flat angles P-C4'-P energy: -26.060
tors. eta vs tors. theta energy: -19.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -337.302380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.302380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.302380 (E_RNA)
where:
Base-Base interactions energy: -194.031
where: short stacking energy: -101.994
Base-Backbone interact. energy: -0.056
local terms energy: -143.215538
where:
bonds (distance) C4'-P energy: -25.845
bonds (distance) P-C4' energy: -36.802
flat angles C4'-P-C4' energy: -34.834
flat angles P-C4'-P energy: -23.971
tors. eta vs tors. theta energy: -21.763
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: 3
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -304.718498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.718498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.718498 (E_RNA)
where:
Base-Base interactions energy: -161.888
where: short stacking energy: -93.372
Base-Backbone interact. energy: 1.028
local terms energy: -143.858367
where:
bonds (distance) C4'-P energy: -32.140
bonds (distance) P-C4' energy: -33.235
flat angles C4'-P-C4' energy: -38.237
flat angles P-C4'-P energy: -16.359
tors. eta vs tors. theta energy: -23.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -174.855976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.855976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.855976 (E_RNA)
where:
Base-Base interactions energy: -59.714
where: short stacking energy: -56.308
Base-Backbone interact. energy: -0.854
local terms energy: -114.287465
where:
bonds (distance) C4'-P energy: -33.778
bonds (distance) P-C4' energy: -41.733
flat angles C4'-P-C4' energy: -15.171
flat angles P-C4'-P energy: -20.339
tors. eta vs tors. theta energy: -3.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -164.834822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.834822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.834822 (E_RNA)
where:
Base-Base interactions energy: -50.469
where: short stacking energy: -49.450
Base-Backbone interact. energy: 0.127
local terms energy: -114.492839
where:
bonds (distance) C4'-P energy: -44.182
bonds (distance) P-C4' energy: -35.321
flat angles C4'-P-C4' energy: -22.988
flat angles P-C4'-P energy: -15.208
tors. eta vs tors. theta energy: 3.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -657.281297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.281297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.281297 (E_RNA)
where:
Base-Base interactions energy: -452.634
where: short stacking energy: -204.513
Base-Backbone interact. energy: -0.288
local terms energy: -204.359204
where:
bonds (distance) C4'-P energy: -37.475
bonds (distance) P-C4' energy: -38.223
flat angles C4'-P-C4' energy: -39.890
flat angles P-C4'-P energy: -28.453
tors. eta vs tors. theta energy: -60.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -595.705696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.705696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.705696 (E_RNA)
where:
Base-Base interactions energy: -389.546
where: short stacking energy: -187.966
Base-Backbone interact. energy: -0.293
local terms energy: -205.866498
where:
bonds (distance) C4'-P energy: -34.534
bonds (distance) P-C4' energy: -43.517
flat angles C4'-P-C4' energy: -44.090
flat angles P-C4'-P energy: -24.926
tors. eta vs tors. theta energy: -58.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -599.816448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.816448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.816448 (E_RNA)
where:
Base-Base interactions energy: -391.687
where: short stacking energy: -189.656
Base-Backbone interact. energy: -2.235
local terms energy: -205.894432
where:
bonds (distance) C4'-P energy: -34.554
bonds (distance) P-C4' energy: -44.333
flat angles C4'-P-C4' energy: -40.959
flat angles P-C4'-P energy: -28.572
tors. eta vs tors. theta energy: -57.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -584.489001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.489001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.489001 (E_RNA)
where:
Base-Base interactions energy: -390.835
where: short stacking energy: -179.741
Base-Backbone interact. energy: -1.342
local terms energy: -192.311668
where:
bonds (distance) C4'-P energy: -39.415
bonds (distance) P-C4' energy: -40.869
flat angles C4'-P-C4' energy: -37.861
flat angles P-C4'-P energy: -21.027
tors. eta vs tors. theta energy: -53.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -520.934634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.934634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.934634 (E_RNA)
where:
Base-Base interactions energy: -337.750
where: short stacking energy: -164.763
Base-Backbone interact. energy: -0.147
local terms energy: -183.038016
where:
bonds (distance) C4'-P energy: -23.545
bonds (distance) P-C4' energy: -39.610
flat angles C4'-P-C4' energy: -43.524
flat angles P-C4'-P energy: -24.835
tors. eta vs tors. theta energy: -51.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -390.122657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.122657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.122657 (E_RNA)
where:
Base-Base interactions energy: -220.969
where: short stacking energy: -109.152
Base-Backbone interact. energy: -0.499
local terms energy: -168.654328
where:
bonds (distance) C4'-P energy: -33.585
bonds (distance) P-C4' energy: -36.983
flat angles C4'-P-C4' energy: -40.140
flat angles P-C4'-P energy: -27.851
tors. eta vs tors. theta energy: -30.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -336.034024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.034024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.034024 (E_RNA)
where:
Base-Base interactions energy: -170.323
where: short stacking energy: -98.122
Base-Backbone interact. energy: -1.619
local terms energy: -164.092049
where:
bonds (distance) C4'-P energy: -43.073
bonds (distance) P-C4' energy: -35.626
flat angles C4'-P-C4' energy: -38.495
flat angles P-C4'-P energy: -25.926
tors. eta vs tors. theta energy: -20.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -262.683436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.683436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.683436 (E_RNA)
where:
Base-Base interactions energy: -128.718
where: short stacking energy: -82.204
Base-Backbone interact. energy: -0.515
local terms energy: -133.450997
where:
bonds (distance) C4'-P energy: -29.640
bonds (distance) P-C4' energy: -33.893
flat angles C4'-P-C4' energy: -26.965
flat angles P-C4'-P energy: -29.671
tors. eta vs tors. theta energy: -13.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -190.429682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.429682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.429682 (E_RNA)
where:
Base-Base interactions energy: -67.937
where: short stacking energy: -38.963
Base-Backbone interact. energy: -0.047
local terms energy: -122.446090
where:
bonds (distance) C4'-P energy: -42.649
bonds (distance) P-C4' energy: -31.047
flat angles C4'-P-C4' energy: -27.092
flat angles P-C4'-P energy: -27.584
tors. eta vs tors. theta energy: 5.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -170.408372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.408372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.408372 (E_RNA)
where:
Base-Base interactions energy: -62.126
where: short stacking energy: -53.862
Base-Backbone interact. energy: -0.816
local terms energy: -107.465957
where:
bonds (distance) C4'-P energy: -32.760
bonds (distance) P-C4' energy: -34.025
flat angles C4'-P-C4' energy: -23.837
flat angles P-C4'-P energy: -19.559
tors. eta vs tors. theta energy: 2.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -660.608451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.608451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.608451 (E_RNA)
where:
Base-Base interactions energy: -427.197
where: short stacking energy: -210.708
Base-Backbone interact. energy: -0.083
local terms energy: -233.328450
where:
bonds (distance) C4'-P energy: -43.826
bonds (distance) P-C4' energy: -35.430
flat angles C4'-P-C4' energy: -46.845
flat angles P-C4'-P energy: -42.106
tors. eta vs tors. theta energy: -65.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -606.664552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.664552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.664552 (E_RNA)
where:
Base-Base interactions energy: -404.473
where: short stacking energy: -195.620
Base-Backbone interact. energy: -1.720
local terms energy: -200.471088
where:
bonds (distance) C4'-P energy: -33.511
bonds (distance) P-C4' energy: -42.671
flat angles C4'-P-C4' energy: -39.416
flat angles P-C4'-P energy: -28.223
tors. eta vs tors. theta energy: -56.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -573.670182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.670182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.670182 (E_RNA)
where:
Base-Base interactions energy: -370.767
where: short stacking energy: -170.165
Base-Backbone interact. energy: -0.115
local terms energy: -202.788433
where:
bonds (distance) C4'-P energy: -37.084
bonds (distance) P-C4' energy: -39.355
flat angles C4'-P-C4' energy: -42.264
flat angles P-C4'-P energy: -28.042
tors. eta vs tors. theta energy: -56.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -578.172625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.172625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.172625 (E_RNA)
where:
Base-Base interactions energy: -369.649
where: short stacking energy: -170.237
Base-Backbone interact. energy: 0.536
local terms energy: -209.059447
where:
bonds (distance) C4'-P energy: -31.777
bonds (distance) P-C4' energy: -38.144
flat angles C4'-P-C4' energy: -45.226
flat angles P-C4'-P energy: -33.244
tors. eta vs tors. theta energy: -60.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -569.675378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.675378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.675378 (E_RNA)
where:
Base-Base interactions energy: -377.768
where: short stacking energy: -170.110
Base-Backbone interact. energy: 1.078
local terms energy: -192.985459
where:
bonds (distance) C4'-P energy: -25.883
bonds (distance) P-C4' energy: -44.388
flat angles C4'-P-C4' energy: -47.248
flat angles P-C4'-P energy: -26.790
tors. eta vs tors. theta energy: -48.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -411.217582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.217582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.217582 (E_RNA)
where:
Base-Base interactions energy: -254.220
where: short stacking energy: -111.702
Base-Backbone interact. energy: -1.038
local terms energy: -155.960007
where:
bonds (distance) C4'-P energy: -36.493
bonds (distance) P-C4' energy: -40.013
flat angles C4'-P-C4' energy: -32.769
flat angles P-C4'-P energy: -23.628
tors. eta vs tors. theta energy: -23.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -356.934104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.934104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.934104 (E_RNA)
where:
Base-Base interactions energy: -202.779
where: short stacking energy: -99.916
Base-Backbone interact. energy: -0.829
local terms energy: -153.325872
where:
bonds (distance) C4'-P energy: -36.117
bonds (distance) P-C4' energy: -44.720
flat angles C4'-P-C4' energy: -35.285
flat angles P-C4'-P energy: -22.379
tors. eta vs tors. theta energy: -14.826
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: 1
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -236.068394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.068394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.068394 (E_RNA)
where:
Base-Base interactions energy: -107.947
where: short stacking energy: -61.550
Base-Backbone interact. energy: -0.626
local terms energy: -127.494450
where:
bonds (distance) C4'-P energy: -36.043
bonds (distance) P-C4' energy: -31.896
flat angles C4'-P-C4' energy: -32.606
flat angles P-C4'-P energy: -22.813
tors. eta vs tors. theta energy: -4.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -181.438976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.438976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.438976 (E_RNA)
where:
Base-Base interactions energy: -52.583
where: short stacking energy: -52.583
Base-Backbone interact. energy: -0.595
local terms energy: -128.261274
where:
bonds (distance) C4'-P energy: -36.479
bonds (distance) P-C4' energy: -35.980
flat angles C4'-P-C4' energy: -31.679
flat angles P-C4'-P energy: -20.123
tors. eta vs tors. theta energy: -4.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -178.600456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.600456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.600456 (E_RNA)
where:
Base-Base interactions energy: -65.219
where: short stacking energy: -48.250
Base-Backbone interact. energy: 0.868
local terms energy: -114.249944
where:
bonds (distance) C4'-P energy: -36.211
bonds (distance) P-C4' energy: -29.081
flat angles C4'-P-C4' energy: -27.665
flat angles P-C4'-P energy: -20.530
tors. eta vs tors. theta energy: -0.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -619.457898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.457898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.457898 (E_RNA)
where:
Base-Base interactions energy: -409.772
where: short stacking energy: -182.098
Base-Backbone interact. energy: -1.345
local terms energy: -208.341214
where:
bonds (distance) C4'-P energy: -39.903
bonds (distance) P-C4' energy: -38.205
flat angles C4'-P-C4' energy: -41.430
flat angles P-C4'-P energy: -35.546
tors. eta vs tors. theta energy: -53.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -625.853729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.853729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.853729 (E_RNA)
where:
Base-Base interactions energy: -410.369
where: short stacking energy: -185.362
Base-Backbone interact. energy: -0.412
local terms energy: -215.072458
where:
bonds (distance) C4'-P energy: -40.586
bonds (distance) P-C4' energy: -37.454
flat angles C4'-P-C4' energy: -43.139
flat angles P-C4'-P energy: -29.483
tors. eta vs tors. theta energy: -64.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -582.312650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.312650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.312650 (E_RNA)
where:
Base-Base interactions energy: -371.117
where: short stacking energy: -181.978
Base-Backbone interact. energy: -0.227
local terms energy: -210.968277
where:
bonds (distance) C4'-P energy: -39.842
bonds (distance) P-C4' energy: -45.308
flat angles C4'-P-C4' energy: -45.100
flat angles P-C4'-P energy: -27.300
tors. eta vs tors. theta energy: -53.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -566.958159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.958159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.958159 (E_RNA)
where:
Base-Base interactions energy: -372.978
where: short stacking energy: -179.498
Base-Backbone interact. energy: -0.989
local terms energy: -192.990912
where:
bonds (distance) C4'-P energy: -37.031
bonds (distance) P-C4' energy: -31.678
flat angles C4'-P-C4' energy: -41.281
flat angles P-C4'-P energy: -26.414
tors. eta vs tors. theta energy: -56.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -540.844318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.844318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.844318 (E_RNA)
where:
Base-Base interactions energy: -366.796
where: short stacking energy: -157.560
Base-Backbone interact. energy: 1.775
local terms energy: -175.823659
where:
bonds (distance) C4'-P energy: -30.057
bonds (distance) P-C4' energy: -35.498
flat angles C4'-P-C4' energy: -39.512
flat angles P-C4'-P energy: -26.877
tors. eta vs tors. theta energy: -43.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -419.730986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.730986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.730986 (E_RNA)
where:
Base-Base interactions energy: -263.785
where: short stacking energy: -119.598
Base-Backbone interact. energy: -1.014
local terms energy: -154.931868
where:
bonds (distance) C4'-P energy: -32.691
bonds (distance) P-C4' energy: -39.607
flat angles C4'-P-C4' energy: -37.674
flat angles P-C4'-P energy: -21.012
tors. eta vs tors. theta energy: -23.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -326.627005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.627005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.627005 (E_RNA)
where:
Base-Base interactions energy: -178.418
where: short stacking energy: -91.028
Base-Backbone interact. energy: -0.931
local terms energy: -147.278023
where:
bonds (distance) C4'-P energy: -27.212
bonds (distance) P-C4' energy: -37.502
flat angles C4'-P-C4' energy: -36.661
flat angles P-C4'-P energy: -24.986
tors. eta vs tors. theta energy: -20.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -194.723350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.723350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.723350 (E_RNA)
where:
Base-Base interactions energy: -76.240
where: short stacking energy: -67.253
Base-Backbone interact. energy: -0.529
local terms energy: -117.955266
where:
bonds (distance) C4'-P energy: -36.474
bonds (distance) P-C4' energy: -39.872
flat angles C4'-P-C4' energy: -23.312
flat angles P-C4'-P energy: -18.248
tors. eta vs tors. theta energy: -0.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -180.550835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.550835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.550835 (E_RNA)
where:
Base-Base interactions energy: -61.116
where: short stacking energy: -47.954
Base-Backbone interact. energy: 2.593
local terms energy: -122.027239
where:
bonds (distance) C4'-P energy: -37.395
bonds (distance) P-C4' energy: -35.455
flat angles C4'-P-C4' energy: -27.279
flat angles P-C4'-P energy: -19.541
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: 10, replica: 5
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -162.757065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.757065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.757065 (E_RNA)
where:
Base-Base interactions energy: -49.687
where: short stacking energy: -47.246
Base-Backbone interact. energy: 0.533
local terms energy: -113.602554
where:
bonds (distance) C4'-P energy: -26.225
bonds (distance) P-C4' energy: -33.838
flat angles C4'-P-C4' energy: -30.367
flat angles P-C4'-P energy: -23.180
tors. eta vs tors. theta energy: 0.008
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: 9
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -628.478576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.478576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.478576 (E_RNA)
where:
Base-Base interactions energy: -412.065
where: short stacking energy: -195.999
Base-Backbone interact. energy: 0.662
local terms energy: -217.075624
where:
bonds (distance) C4'-P energy: -41.175
bonds (distance) P-C4' energy: -43.278
flat angles C4'-P-C4' energy: -44.168
flat angles P-C4'-P energy: -32.410
tors. eta vs tors. theta energy: -56.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -638.380537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.380537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.380537 (E_RNA)
where:
Base-Base interactions energy: -414.309
where: short stacking energy: -192.042
Base-Backbone interact. energy: -0.369
local terms energy: -223.703001
where:
bonds (distance) C4'-P energy: -42.950
bonds (distance) P-C4' energy: -42.050
flat angles C4'-P-C4' energy: -41.984
flat angles P-C4'-P energy: -34.405
tors. eta vs tors. theta energy: -62.314
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: 8
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -590.061966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.061966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.061966 (E_RNA)
where:
Base-Base interactions energy: -388.840
where: short stacking energy: -184.881
Base-Backbone interact. energy: -0.261
local terms energy: -200.961372
where:
bonds (distance) C4'-P energy: -35.442
bonds (distance) P-C4' energy: -34.034
flat angles C4'-P-C4' energy: -39.945
flat angles P-C4'-P energy: -37.459
tors. eta vs tors. theta energy: -54.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -574.359044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.359044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.359044 (E_RNA)
where:
Base-Base interactions energy: -366.390
where: short stacking energy: -180.337
Base-Backbone interact. energy: -0.660
local terms energy: -207.309450
where:
bonds (distance) C4'-P energy: -38.226
bonds (distance) P-C4' energy: -34.395
flat angles C4'-P-C4' energy: -43.909
flat angles P-C4'-P energy: -30.955
tors. eta vs tors. theta energy: -59.825
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: 7
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -525.653401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.653401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.653401 (E_RNA)
where:
Base-Base interactions energy: -340.826
where: short stacking energy: -152.042
Base-Backbone interact. energy: -0.627
local terms energy: -184.201325
where:
bonds (distance) C4'-P energy: -42.088
bonds (distance) P-C4' energy: -37.460
flat angles C4'-P-C4' energy: -41.518
flat angles P-C4'-P energy: -22.667
tors. eta vs tors. theta energy: -40.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -401.085497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.085497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.085497 (E_RNA)
where:
Base-Base interactions energy: -236.768
where: short stacking energy: -113.168
Base-Backbone interact. energy: -0.230
local terms energy: -164.087942
where:
bonds (distance) C4'-P energy: -29.379
bonds (distance) P-C4' energy: -39.367
flat angles C4'-P-C4' energy: -39.549
flat angles P-C4'-P energy: -22.293
tors. eta vs tors. theta energy: -33.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -312.678323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.678323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.678323 (E_RNA)
where:
Base-Base interactions energy: -162.376
where: short stacking energy: -81.743
Base-Backbone interact. energy: 0.866
local terms energy: -151.169218
where:
bonds (distance) C4'-P energy: -41.411
bonds (distance) P-C4' energy: -42.159
flat angles C4'-P-C4' energy: -32.720
flat angles P-C4'-P energy: -21.357
tors. eta vs tors. theta energy: -13.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -201.377741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.377741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.377741 (E_RNA)
where:
Base-Base interactions energy: -71.145
where: short stacking energy: -71.073
Base-Backbone interact. energy: -0.396
local terms energy: -129.836513
where:
bonds (distance) C4'-P energy: -37.566
bonds (distance) P-C4' energy: -37.122
flat angles C4'-P-C4' energy: -34.082
flat angles P-C4'-P energy: -16.486
tors. eta vs tors. theta energy: -4.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -175.215247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.215247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.215247 (E_RNA)
where:
Base-Base interactions energy: -70.766
where: short stacking energy: -56.257
Base-Backbone interact. energy: 1.214
local terms energy: -105.663185
where:
bonds (distance) C4'-P energy: -29.573
bonds (distance) P-C4' energy: -29.636
flat angles C4'-P-C4' energy: -16.694
flat angles P-C4'-P energy: -32.564
tors. eta vs tors. theta energy: 2.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -169.603111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.603111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.603111 (E_RNA)
where:
Base-Base interactions energy: -70.762
where: short stacking energy: -64.599
Base-Backbone interact. energy: 0.134
local terms energy: -98.974980
where:
bonds (distance) C4'-P energy: -33.045
bonds (distance) P-C4' energy: -24.385
flat angles C4'-P-C4' energy: -25.744
flat angles P-C4'-P energy: -7.800
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: 1, replica: 6
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -645.806528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.806528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.806528 (E_RNA)
where:
Base-Base interactions energy: -433.810
where: short stacking energy: -205.845
Base-Backbone interact. energy: -0.186
local terms energy: -211.810777
where:
bonds (distance) C4'-P energy: -39.770
bonds (distance) P-C4' energy: -42.300
flat angles C4'-P-C4' energy: -39.412
flat angles P-C4'-P energy: -29.552
tors. eta vs tors. theta energy: -60.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -613.433260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.433260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.433260 (E_RNA)
where:
Base-Base interactions energy: -406.555
where: short stacking energy: -191.027
Base-Backbone interact. energy: -2.026
local terms energy: -204.851733
where:
bonds (distance) C4'-P energy: -37.905
bonds (distance) P-C4' energy: -41.216
flat angles C4'-P-C4' energy: -37.076
flat angles P-C4'-P energy: -30.338
tors. eta vs tors. theta energy: -58.318
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: 8
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -585.921946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.921946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.921946 (E_RNA)
where:
Base-Base interactions energy: -376.643
where: short stacking energy: -180.412
Base-Backbone interact. energy: 0.324
local terms energy: -209.603253
where:
bonds (distance) C4'-P energy: -38.352
bonds (distance) P-C4' energy: -39.610
flat angles C4'-P-C4' energy: -41.816
flat angles P-C4'-P energy: -31.046
tors. eta vs tors. theta energy: -58.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -559.778718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.778718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.778718 (E_RNA)
where:
Base-Base interactions energy: -359.255
where: short stacking energy: -169.328
Base-Backbone interact. energy: -0.027
local terms energy: -200.496800
where:
bonds (distance) C4'-P energy: -31.289
bonds (distance) P-C4' energy: -41.221
flat angles C4'-P-C4' energy: -42.827
flat angles P-C4'-P energy: -27.243
tors. eta vs tors. theta energy: -57.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -523.305779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.305779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.305779 (E_RNA)
where:
Base-Base interactions energy: -361.790
where: short stacking energy: -160.387
Base-Backbone interact. energy: -0.208
local terms energy: -161.307414
where:
bonds (distance) C4'-P energy: -29.612
bonds (distance) P-C4' energy: -28.295
flat angles C4'-P-C4' energy: -35.897
flat angles P-C4'-P energy: -21.869
tors. eta vs tors. theta energy: -45.634
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: 4
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -431.821227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.821227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.821227 (E_RNA)
where:
Base-Base interactions energy: -251.004
where: short stacking energy: -140.462
Base-Backbone interact. energy: -0.297
local terms energy: -180.519405
where:
bonds (distance) C4'-P energy: -37.429
bonds (distance) P-C4' energy: -43.166
flat angles C4'-P-C4' energy: -35.414
flat angles P-C4'-P energy: -23.201
tors. eta vs tors. theta energy: -41.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -315.089597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.089597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.089597 (E_RNA)
where:
Base-Base interactions energy: -178.579
where: short stacking energy: -91.685
Base-Backbone interact. energy: -0.785
local terms energy: -135.725853
where:
bonds (distance) C4'-P energy: -28.969
bonds (distance) P-C4' energy: -40.769
flat angles C4'-P-C4' energy: -35.194
flat angles P-C4'-P energy: -18.727
tors. eta vs tors. theta energy: -12.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -195.559550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.559550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.559550 (E_RNA)
where:
Base-Base interactions energy: -78.216
where: short stacking energy: -67.790
Base-Backbone interact. energy: -0.478
local terms energy: -116.865712
where:
bonds (distance) C4'-P energy: -37.886
bonds (distance) P-C4' energy: -32.600
flat angles C4'-P-C4' energy: -38.232
flat angles P-C4'-P energy: -7.835
tors. eta vs tors. theta energy: -0.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -183.556346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.556346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.556346 (E_RNA)
where:
Base-Base interactions energy: -57.950
where: short stacking energy: -56.328
Base-Backbone interact. energy: -1.060
local terms energy: -124.545855
where:
bonds (distance) C4'-P energy: -31.855
bonds (distance) P-C4' energy: -40.626
flat angles C4'-P-C4' energy: -36.866
flat angles P-C4'-P energy: -14.095
tors. eta vs tors. theta energy: -1.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -171.277269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.277269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.277269 (E_RNA)
where:
Base-Base interactions energy: -61.618
where: short stacking energy: -39.638
Base-Backbone interact. energy: 1.233
local terms energy: -110.892360
where:
bonds (distance) C4'-P energy: -34.478
bonds (distance) P-C4' energy: -35.643
flat angles C4'-P-C4' energy: -28.224
flat angles P-C4'-P energy: -15.424
tors. eta vs tors. theta energy: 2.877
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: 1, replica: 6
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -649.199950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.199950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.199950 (E_RNA)
where:
Base-Base interactions energy: -423.964
where: short stacking energy: -204.523
Base-Backbone interact. energy: -0.144
local terms energy: -225.092093
where:
bonds (distance) C4'-P energy: -44.061
bonds (distance) P-C4' energy: -45.102
flat angles C4'-P-C4' energy: -48.421
flat angles P-C4'-P energy: -28.304
tors. eta vs tors. theta energy: -59.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -614.555366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.555366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.555366 (E_RNA)
where:
Base-Base interactions energy: -405.006
where: short stacking energy: -193.541
Base-Backbone interact. energy: -1.661
local terms energy: -207.888847
where:
bonds (distance) C4'-P energy: -40.020
bonds (distance) P-C4' energy: -34.589
flat angles C4'-P-C4' energy: -44.184
flat angles P-C4'-P energy: -29.594
tors. eta vs tors. theta energy: -59.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -585.909149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.909149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.909149 (E_RNA)
where:
Base-Base interactions energy: -377.144
where: short stacking energy: -192.974
Base-Backbone interact. energy: -0.008
local terms energy: -208.757153
where:
bonds (distance) C4'-P energy: -36.374
bonds (distance) P-C4' energy: -36.020
flat angles C4'-P-C4' energy: -43.342
flat angles P-C4'-P energy: -30.951
tors. eta vs tors. theta energy: -62.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -526.080926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.080926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.080926 (E_RNA)
where:
Base-Base interactions energy: -333.209
where: short stacking energy: -149.327
Base-Backbone interact. energy: -0.566
local terms energy: -192.305891
where:
bonds (distance) C4'-P energy: -42.431
bonds (distance) P-C4' energy: -36.324
flat angles C4'-P-C4' energy: -43.619
flat angles P-C4'-P energy: -25.545
tors. eta vs tors. theta energy: -44.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -544.592414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.592414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.592414 (E_RNA)
where:
Base-Base interactions energy: -370.047
where: short stacking energy: -152.327
Base-Backbone interact. energy: -0.357
local terms energy: -174.188978
where:
bonds (distance) C4'-P energy: -35.058
bonds (distance) P-C4' energy: -34.845
flat angles C4'-P-C4' energy: -36.112
flat angles P-C4'-P energy: -28.604
tors. eta vs tors. theta energy: -39.571
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: 4
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -443.039022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.039022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.039022 (E_RNA)
where:
Base-Base interactions energy: -269.236
where: short stacking energy: -124.752
Base-Backbone interact. energy: 3.389
local terms energy: -177.191938
where:
bonds (distance) C4'-P energy: -38.472
bonds (distance) P-C4' energy: -35.841
flat angles C4'-P-C4' energy: -44.496
flat angles P-C4'-P energy: -25.800
tors. eta vs tors. theta energy: -32.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -341.192805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.192805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.192805 (E_RNA)
where:
Base-Base interactions energy: -182.765
where: short stacking energy: -108.556
Base-Backbone interact. energy: 0.239
local terms energy: -158.666935
where:
bonds (distance) C4'-P energy: -36.204
bonds (distance) P-C4' energy: -38.041
flat angles C4'-P-C4' energy: -33.622
flat angles P-C4'-P energy: -26.256
tors. eta vs tors. theta energy: -24.546
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: 111
Temperature: 1.250000
Total energy: -201.074585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.074585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.074585 (E_RNA)
where:
Base-Base interactions energy: -85.159
where: short stacking energy: -56.320
Base-Backbone interact. energy: -1.429
local terms energy: -114.486307
where:
bonds (distance) C4'-P energy: -38.422
bonds (distance) P-C4' energy: -21.480
flat angles C4'-P-C4' energy: -30.374
flat angles P-C4'-P energy: -23.092
tors. eta vs tors. theta energy: -1.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -170.777583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.777583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.777583 (E_RNA)
where:
Base-Base interactions energy: -59.546
where: short stacking energy: -42.966
Base-Backbone interact. energy: -0.517
local terms energy: -110.714514
where:
bonds (distance) C4'-P energy: -35.193
bonds (distance) P-C4' energy: -30.294
flat angles C4'-P-C4' energy: -33.534
flat angles P-C4'-P energy: -15.248
tors. eta vs tors. theta energy: 3.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -158.316755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.316755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.316755 (E_RNA)
where:
Base-Base interactions energy: -61.313
where: short stacking energy: -54.370
Base-Backbone interact. energy: -0.570
local terms energy: -96.433524
where:
bonds (distance) C4'-P energy: -22.237
bonds (distance) P-C4' energy: -35.392
flat angles C4'-P-C4' energy: -33.761
flat angles P-C4'-P energy: -12.741
tors. eta vs tors. theta energy: 7.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -653.720476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.720476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.720476 (E_RNA)
where:
Base-Base interactions energy: -430.068
where: short stacking energy: -191.235
Base-Backbone interact. energy: -0.230
local terms energy: -223.421552
where:
bonds (distance) C4'-P energy: -42.836
bonds (distance) P-C4' energy: -38.135
flat angles C4'-P-C4' energy: -45.808
flat angles P-C4'-P energy: -33.817
tors. eta vs tors. theta energy: -62.826
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: 9
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -634.116377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.116377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.116377 (E_RNA)
where:
Base-Base interactions energy: -412.271
where: short stacking energy: -188.810
Base-Backbone interact. energy: -0.805
local terms energy: -221.040266
where:
bonds (distance) C4'-P energy: -41.703
bonds (distance) P-C4' energy: -46.340
flat angles C4'-P-C4' energy: -45.109
flat angles P-C4'-P energy: -26.662
tors. eta vs tors. theta energy: -61.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -580.186754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.186754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.186754 (E_RNA)
where:
Base-Base interactions energy: -373.138
where: short stacking energy: -184.961
Base-Backbone interact. energy: -0.164
local terms energy: -206.884701
where:
bonds (distance) C4'-P energy: -43.292
bonds (distance) P-C4' energy: -34.835
flat angles C4'-P-C4' energy: -45.818
flat angles P-C4'-P energy: -28.343
tors. eta vs tors. theta energy: -54.596
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: 4, replica: 7
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -545.228397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.228397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.228397 (E_RNA)
where:
Base-Base interactions energy: -357.155
where: short stacking energy: -176.544
Base-Backbone interact. energy: -0.696
local terms energy: -187.376947
where:
bonds (distance) C4'-P energy: -31.243
bonds (distance) P-C4' energy: -40.053
flat angles C4'-P-C4' energy: -38.168
flat angles P-C4'-P energy: -23.899
tors. eta vs tors. theta energy: -54.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -539.060735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.060735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.060735 (E_RNA)
where:
Base-Base interactions energy: -369.087
where: short stacking energy: -160.373
Base-Backbone interact. energy: -1.138
local terms energy: -168.836454
where:
bonds (distance) C4'-P energy: -36.696
bonds (distance) P-C4' energy: -29.415
flat angles C4'-P-C4' energy: -32.773
flat angles P-C4'-P energy: -21.946
tors. eta vs tors. theta energy: -48.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -503.819996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.819996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.819996 (E_RNA)
where:
Base-Base interactions energy: -327.633
where: short stacking energy: -156.632
Base-Backbone interact. energy: -0.173
local terms energy: -176.014160
where:
bonds (distance) C4'-P energy: -33.858
bonds (distance) P-C4' energy: -30.757
flat angles C4'-P-C4' energy: -37.951
flat angles P-C4'-P energy: -26.897
tors. eta vs tors. theta energy: -46.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -299.666501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.666501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.666501 (E_RNA)
where:
Base-Base interactions energy: -156.394
where: short stacking energy: -85.166
Base-Backbone interact. energy: -0.377
local terms energy: -142.894746
where:
bonds (distance) C4'-P energy: -33.196
bonds (distance) P-C4' energy: -36.376
flat angles C4'-P-C4' energy: -37.270
flat angles P-C4'-P energy: -24.798
tors. eta vs tors. theta energy: -11.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -260.144535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.144535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.144535 (E_RNA)
where:
Base-Base interactions energy: -134.977
where: short stacking energy: -68.054
Base-Backbone interact. energy: -0.693
local terms energy: -124.475163
where:
bonds (distance) C4'-P energy: -29.896
bonds (distance) P-C4' energy: -38.723
flat angles C4'-P-C4' energy: -34.946
flat angles P-C4'-P energy: -14.700
tors. eta vs tors. theta energy: -6.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -214.151920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.151920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.151920 (E_RNA)
where:
Base-Base interactions energy: -84.466
where: short stacking energy: -51.204
Base-Backbone interact. energy: -0.453
local terms energy: -129.233183
where:
bonds (distance) C4'-P energy: -37.273
bonds (distance) P-C4' energy: -33.386
flat angles C4'-P-C4' energy: -31.082
flat angles P-C4'-P energy: -21.906
tors. eta vs tors. theta energy: -5.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -185.965327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.965327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.965327 (E_RNA)
where:
Base-Base interactions energy: -61.968
where: short stacking energy: -49.821
Base-Backbone interact. energy: -0.643
local terms energy: -123.354425
where:
bonds (distance) C4'-P energy: -39.960
bonds (distance) P-C4' energy: -32.343
flat angles C4'-P-C4' energy: -28.583
flat angles P-C4'-P energy: -15.789
tors. eta vs tors. theta energy: -6.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -658.740557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.740557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.740557 (E_RNA)
where:
Base-Base interactions energy: -453.335
where: short stacking energy: -214.948
Base-Backbone interact. energy: -0.184
local terms energy: -205.222113
where:
bonds (distance) C4'-P energy: -37.018
bonds (distance) P-C4' energy: -28.088
flat angles C4'-P-C4' energy: -44.560
flat angles P-C4'-P energy: -32.507
tors. eta vs tors. theta energy: -63.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -630.858382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.858382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.858382 (E_RNA)
where:
Base-Base interactions energy: -424.475
where: short stacking energy: -198.742
Base-Backbone interact. energy: -1.122
local terms energy: -205.261231
where:
bonds (distance) C4'-P energy: -36.351
bonds (distance) P-C4' energy: -37.046
flat angles C4'-P-C4' energy: -45.873
flat angles P-C4'-P energy: -25.460
tors. eta vs tors. theta energy: -60.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -594.792925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.792925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.792925 (E_RNA)
where:
Base-Base interactions energy: -373.563
where: short stacking energy: -174.804
Base-Backbone interact. energy: -0.460
local terms energy: -220.769981
where:
bonds (distance) C4'-P energy: -41.723
bonds (distance) P-C4' energy: -46.388
flat angles C4'-P-C4' energy: -42.609
flat angles P-C4'-P energy: -33.381
tors. eta vs tors. theta energy: -56.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -541.563057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.563057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.563057 (E_RNA)
where:
Base-Base interactions energy: -354.766
where: short stacking energy: -162.786
Base-Backbone interact. energy: -0.378
local terms energy: -186.418724
where:
bonds (distance) C4'-P energy: -32.115
bonds (distance) P-C4' energy: -32.890
flat angles C4'-P-C4' energy: -45.177
flat angles P-C4'-P energy: -26.192
tors. eta vs tors. theta energy: -50.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -550.525406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.525406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.525406 (E_RNA)
where:
Base-Base interactions energy: -374.421
where: short stacking energy: -164.598
Base-Backbone interact. energy: -0.222
local terms energy: -175.882916
where:
bonds (distance) C4'-P energy: -33.229
bonds (distance) P-C4' energy: -34.612
flat angles C4'-P-C4' energy: -29.233
flat angles P-C4'-P energy: -28.659
tors. eta vs tors. theta energy: -50.150
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: 4
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -516.281105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.281105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.281105 (E_RNA)
where:
Base-Base interactions energy: -343.236
where: short stacking energy: -167.571
Base-Backbone interact. energy: 2.520
local terms energy: -175.565814
where:
bonds (distance) C4'-P energy: -35.602
bonds (distance) P-C4' energy: -32.660
flat angles C4'-P-C4' energy: -39.744
flat angles P-C4'-P energy: -24.085
tors. eta vs tors. theta energy: -43.474
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: 10
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -266.748638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.748638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.748638 (E_RNA)
where:
Base-Base interactions energy: -140.760
where: short stacking energy: -69.582
Base-Backbone interact. energy: 0.401
local terms energy: -126.389399
where:
bonds (distance) C4'-P energy: -33.605
bonds (distance) P-C4' energy: -44.428
flat angles C4'-P-C4' energy: -30.570
flat angles P-C4'-P energy: -11.975
tors. eta vs tors. theta energy: -5.812
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: 8, replica: 3
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -204.369058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.369058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.369058 (E_RNA)
where:
Base-Base interactions energy: -86.259
where: short stacking energy: -60.883
Base-Backbone interact. energy: 4.764
local terms energy: -122.873464
where:
bonds (distance) C4'-P energy: -33.902
bonds (distance) P-C4' energy: -36.805
flat angles C4'-P-C4' energy: -34.617
flat angles P-C4'-P energy: -19.377
tors. eta vs tors. theta energy: 1.828
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: 1
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -197.857427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.857427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.857427 (E_RNA)
where:
Base-Base interactions energy: -73.327
where: short stacking energy: -61.275
Base-Backbone interact. energy: -0.489
local terms energy: -124.041535
where:
bonds (distance) C4'-P energy: -35.393
bonds (distance) P-C4' energy: -36.403
flat angles C4'-P-C4' energy: -21.234
flat angles P-C4'-P energy: -24.268
tors. eta vs tors. theta energy: -6.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -169.918393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.918393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.918393 (E_RNA)
where:
Base-Base interactions energy: -54.979
where: short stacking energy: -39.247
Base-Backbone interact. energy: -0.794
local terms energy: -114.145849
where:
bonds (distance) C4'-P energy: -39.751
bonds (distance) P-C4' energy: -33.320
flat angles C4'-P-C4' energy: -29.245
flat angles P-C4'-P energy: -18.767
tors. eta vs tors. theta energy: 6.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -634.623485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.623485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.623485 (E_RNA)
where:
Base-Base interactions energy: -422.637
where: short stacking energy: -196.984
Base-Backbone interact. energy: -0.889
local terms energy: -211.097978
where:
bonds (distance) C4'-P energy: -36.335
bonds (distance) P-C4' energy: -35.164
flat angles C4'-P-C4' energy: -46.491
flat angles P-C4'-P energy: -35.040
tors. eta vs tors. theta energy: -58.067
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: 6
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -638.482897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.482897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.482897 (E_RNA)
where:
Base-Base interactions energy: -418.787
where: short stacking energy: -192.348
Base-Backbone interact. energy: -0.228
local terms energy: -219.468353
where:
bonds (distance) C4'-P energy: -42.517
bonds (distance) P-C4' energy: -40.109
flat angles C4'-P-C4' energy: -45.149
flat angles P-C4'-P energy: -33.694
tors. eta vs tors. theta energy: -57.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -597.915764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.915764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.915764 (E_RNA)
where:
Base-Base interactions energy: -390.748
where: short stacking energy: -189.928
Base-Backbone interact. energy: -0.715
local terms energy: -206.453061
where:
bonds (distance) C4'-P energy: -37.952
bonds (distance) P-C4' energy: -42.010
flat angles C4'-P-C4' energy: -42.644
flat angles P-C4'-P energy: -29.418
tors. eta vs tors. theta energy: -54.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -571.052845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.052845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.052845 (E_RNA)
where:
Base-Base interactions energy: -377.270
where: short stacking energy: -167.752
Base-Backbone interact. energy: -0.408
local terms energy: -193.375045
where:
bonds (distance) C4'-P energy: -33.586
bonds (distance) P-C4' energy: -39.892
flat angles C4'-P-C4' energy: -41.666
flat angles P-C4'-P energy: -29.423
tors. eta vs tors. theta energy: -48.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -556.623185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.623185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.623185 (E_RNA)
where:
Base-Base interactions energy: -354.210
where: short stacking energy: -164.478
Base-Backbone interact. energy: -0.368
local terms energy: -202.044967
where:
bonds (distance) C4'-P energy: -41.181
bonds (distance) P-C4' energy: -38.134
flat angles C4'-P-C4' energy: -42.841
flat angles P-C4'-P energy: -33.608
tors. eta vs tors. theta energy: -46.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -550.846190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.846190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.846190 (E_RNA)
where:
Base-Base interactions energy: -362.163
where: short stacking energy: -172.554
Base-Backbone interact. energy: -0.671
local terms energy: -188.012782
where:
bonds (distance) C4'-P energy: -35.253
bonds (distance) P-C4' energy: -32.258
flat angles C4'-P-C4' energy: -41.210
flat angles P-C4'-P energy: -24.774
tors. eta vs tors. theta energy: -54.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -314.910583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.910583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.910583 (E_RNA)
where:
Base-Base interactions energy: -171.952
where: short stacking energy: -83.855
Base-Backbone interact. energy: -0.926
local terms energy: -142.033033
where:
bonds (distance) C4'-P energy: -32.547
bonds (distance) P-C4' energy: -42.879
flat angles C4'-P-C4' energy: -27.044
flat angles P-C4'-P energy: -25.212
tors. eta vs tors. theta energy: -14.351
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: 3
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -205.900129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.900129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.900129 (E_RNA)
where:
Base-Base interactions energy: -72.599
where: short stacking energy: -58.431
Base-Backbone interact. energy: -0.503
local terms energy: -132.798609
where:
bonds (distance) C4'-P energy: -39.855
bonds (distance) P-C4' energy: -38.695
flat angles C4'-P-C4' energy: -29.499
flat angles P-C4'-P energy: -22.581
tors. eta vs tors. theta energy: -2.170
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: 5
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -190.615532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.615532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.615532 (E_RNA)
where:
Base-Base interactions energy: -70.869
where: short stacking energy: -56.729
Base-Backbone interact. energy: -1.051
local terms energy: -118.696141
where:
bonds (distance) C4'-P energy: -31.830
bonds (distance) P-C4' energy: -36.028
flat angles C4'-P-C4' energy: -40.190
flat angles P-C4'-P energy: -8.711
tors. eta vs tors. theta energy: -1.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -182.156455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.156455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.156455 (E_RNA)
where:
Base-Base interactions energy: -68.285
where: short stacking energy: -48.238
Base-Backbone interact. energy: -1.189
local terms energy: -112.682169
where:
bonds (distance) C4'-P energy: -35.355
bonds (distance) P-C4' energy: -39.555
flat angles C4'-P-C4' energy: -29.119
flat angles P-C4'-P energy: -13.202
tors. eta vs tors. theta energy: 4.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -650.818601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.818601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.818601 (E_RNA)
where:
Base-Base interactions energy: -423.506
where: short stacking energy: -196.859
Base-Backbone interact. energy: -0.306
local terms energy: -227.006818
where:
bonds (distance) C4'-P energy: -45.101
bonds (distance) P-C4' energy: -39.967
flat angles C4'-P-C4' energy: -45.060
flat angles P-C4'-P energy: -33.864
tors. eta vs tors. theta energy: -63.014
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: 6
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -646.929279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.929279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.929279 (E_RNA)
where:
Base-Base interactions energy: -433.939
where: short stacking energy: -211.214
Base-Backbone interact. energy: -0.950
local terms energy: -212.040273
where:
bonds (distance) C4'-P energy: -41.727
bonds (distance) P-C4' energy: -35.797
flat angles C4'-P-C4' energy: -44.961
flat angles P-C4'-P energy: -27.107
tors. eta vs tors. theta energy: -62.448
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: 8
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -609.998986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.998986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.998986 (E_RNA)
where:
Base-Base interactions energy: -391.110
where: short stacking energy: -190.258
Base-Backbone interact. energy: -0.779
local terms energy: -218.110136
where:
bonds (distance) C4'-P energy: -32.127
bonds (distance) P-C4' energy: -46.530
flat angles C4'-P-C4' energy: -47.509
flat angles P-C4'-P energy: -30.847
tors. eta vs tors. theta energy: -61.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -564.467282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.467282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.467282 (E_RNA)
where:
Base-Base interactions energy: -364.518
where: short stacking energy: -155.399
Base-Backbone interact. energy: -0.924
local terms energy: -199.024800
where:
bonds (distance) C4'-P energy: -43.918
bonds (distance) P-C4' energy: -44.746
flat angles C4'-P-C4' energy: -39.708
flat angles P-C4'-P energy: -24.029
tors. eta vs tors. theta energy: -46.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -523.898239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.898239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.898239 (E_RNA)
where:
Base-Base interactions energy: -353.625
where: short stacking energy: -145.614
Base-Backbone interact. energy: -1.817
local terms energy: -168.457003
where:
bonds (distance) C4'-P energy: -22.962
bonds (distance) P-C4' energy: -34.559
flat angles C4'-P-C4' energy: -39.681
flat angles P-C4'-P energy: -29.397
tors. eta vs tors. theta energy: -41.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -547.729192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.729192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.729192 (E_RNA)
where:
Base-Base interactions energy: -353.364
where: short stacking energy: -175.802
Base-Backbone interact. energy: -0.091
local terms energy: -194.274242
where:
bonds (distance) C4'-P energy: -33.947
bonds (distance) P-C4' energy: -37.100
flat angles C4'-P-C4' energy: -39.770
flat angles P-C4'-P energy: -28.187
tors. eta vs tors. theta energy: -55.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -294.281225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.281225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.281225 (E_RNA)
where:
Base-Base interactions energy: -165.378
where: short stacking energy: -75.106
Base-Backbone interact. energy: -0.955
local terms energy: -127.948502
where:
bonds (distance) C4'-P energy: -38.870
bonds (distance) P-C4' energy: -30.975
flat angles C4'-P-C4' energy: -32.765
flat angles P-C4'-P energy: -18.693
tors. eta vs tors. theta energy: -6.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -203.960281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.960281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.960281 (E_RNA)
where:
Base-Base interactions energy: -73.798
where: short stacking energy: -55.189
Base-Backbone interact. energy: -0.999
local terms energy: -129.163793
where:
bonds (distance) C4'-P energy: -32.592
bonds (distance) P-C4' energy: -33.983
flat angles C4'-P-C4' energy: -26.502
flat angles P-C4'-P energy: -19.247
tors. eta vs tors. theta energy: -16.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -186.329352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.329352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.329352 (E_RNA)
where:
Base-Base interactions energy: -71.599
where: short stacking energy: -60.968
Base-Backbone interact. energy: -1.088
local terms energy: -113.642038
where:
bonds (distance) C4'-P energy: -29.472
bonds (distance) P-C4' energy: -25.027
flat angles C4'-P-C4' energy: -35.851
flat angles P-C4'-P energy: -18.930
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: 10, replica: 1
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -165.598859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.598859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.598859 (E_RNA)
where:
Base-Base interactions energy: -59.046
where: short stacking energy: -43.915
Base-Backbone interact. energy: -0.891
local terms energy: -105.661945
where:
bonds (distance) C4'-P energy: -27.488
bonds (distance) P-C4' energy: -36.406
flat angles C4'-P-C4' energy: -33.685
flat angles P-C4'-P energy: -15.816
tors. eta vs tors. theta energy: 7.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -659.605768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.605768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.605768 (E_RNA)
where:
Base-Base interactions energy: -437.114
where: short stacking energy: -207.366
Base-Backbone interact. energy: -0.086
local terms energy: -222.405847
where:
bonds (distance) C4'-P energy: -38.663
bonds (distance) P-C4' energy: -42.044
flat angles C4'-P-C4' energy: -42.375
flat angles P-C4'-P energy: -37.950
tors. eta vs tors. theta energy: -61.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -600.198563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.198563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.198563 (E_RNA)
where:
Base-Base interactions energy: -402.074
where: short stacking energy: -179.179
Base-Backbone interact. energy: -1.480
local terms energy: -196.643818
where:
bonds (distance) C4'-P energy: -37.309
bonds (distance) P-C4' energy: -43.071
flat angles C4'-P-C4' energy: -40.886
flat angles P-C4'-P energy: -21.620
tors. eta vs tors. theta energy: -53.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -593.475787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.475787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.475787 (E_RNA)
where:
Base-Base interactions energy: -387.587
where: short stacking energy: -189.800
Base-Backbone interact. energy: -0.342
local terms energy: -205.546481
where:
bonds (distance) C4'-P energy: -38.037
bonds (distance) P-C4' energy: -34.131
flat angles C4'-P-C4' energy: -41.334
flat angles P-C4'-P energy: -33.706
tors. eta vs tors. theta energy: -58.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -538.541075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.541075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.541075 (E_RNA)
where:
Base-Base interactions energy: -360.315
where: short stacking energy: -170.440
Base-Backbone interact. energy: -0.035
local terms energy: -178.191029
where:
bonds (distance) C4'-P energy: -32.898
bonds (distance) P-C4' energy: -39.589
flat angles C4'-P-C4' energy: -42.120
flat angles P-C4'-P energy: -15.582
tors. eta vs tors. theta energy: -48.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -548.651051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.651051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.651051 (E_RNA)
where:
Base-Base interactions energy: -353.495
where: short stacking energy: -170.200
Base-Backbone interact. energy: -0.482
local terms energy: -194.674302
where:
bonds (distance) C4'-P energy: -32.891
bonds (distance) P-C4' energy: -36.732
flat angles C4'-P-C4' energy: -44.586
flat angles P-C4'-P energy: -32.821
tors. eta vs tors. theta energy: -47.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -501.726120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.726120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.726120 (E_RNA)
where:
Base-Base interactions energy: -322.953
where: short stacking energy: -140.121
Base-Backbone interact. energy: -0.373
local terms energy: -178.400286
where:
bonds (distance) C4'-P energy: -30.335
bonds (distance) P-C4' energy: -33.414
flat angles C4'-P-C4' energy: -37.172
flat angles P-C4'-P energy: -33.198
tors. eta vs tors. theta energy: -44.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -272.711552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.711552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.711552 (E_RNA)
where:
Base-Base interactions energy: -127.538
where: short stacking energy: -68.130
Base-Backbone interact. energy: -0.679
local terms energy: -144.494689
where:
bonds (distance) C4'-P energy: -34.487
bonds (distance) P-C4' energy: -39.847
flat angles C4'-P-C4' energy: -37.623
flat angles P-C4'-P energy: -21.185
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: 8, replica: 5
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -186.666321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.666321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.666321 (E_RNA)
where:
Base-Base interactions energy: -73.760
where: short stacking energy: -57.658
Base-Backbone interact. energy: -0.508
local terms energy: -112.398926
where:
bonds (distance) C4'-P energy: -27.456
bonds (distance) P-C4' energy: -35.124
flat angles C4'-P-C4' energy: -34.320
flat angles P-C4'-P energy: -20.894
tors. eta vs tors. theta energy: 5.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -196.794995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.794995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.794995 (E_RNA)
where:
Base-Base interactions energy: -62.429
where: short stacking energy: -40.740
Base-Backbone interact. energy: -1.814
local terms energy: -132.551358
where:
bonds (distance) C4'-P energy: -33.414
bonds (distance) P-C4' energy: -41.493
flat angles C4'-P-C4' energy: -39.315
flat angles P-C4'-P energy: -20.519
tors. eta vs tors. theta energy: 2.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -161.489853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.489853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.489853 (E_RNA)
where:
Base-Base interactions energy: -48.859
where: short stacking energy: -41.158
Base-Backbone interact. energy: 1.254
local terms energy: -113.884737
where:
bonds (distance) C4'-P energy: -35.049
bonds (distance) P-C4' energy: -40.153
flat angles C4'-P-C4' energy: -19.140
flat angles P-C4'-P energy: -22.476
tors. eta vs tors. theta energy: 2.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -645.840350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.840350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.840350 (E_RNA)
where:
Base-Base interactions energy: -435.543
where: short stacking energy: -209.037
Base-Backbone interact. energy: -0.046
local terms energy: -210.250908
where:
bonds (distance) C4'-P energy: -34.728
bonds (distance) P-C4' energy: -36.538
flat angles C4'-P-C4' energy: -41.539
flat angles P-C4'-P energy: -31.434
tors. eta vs tors. theta energy: -66.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -616.080922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.080922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.080922 (E_RNA)
where:
Base-Base interactions energy: -405.240
where: short stacking energy: -198.998
Base-Backbone interact. energy: -0.193
local terms energy: -210.648438
where:
bonds (distance) C4'-P energy: -36.944
bonds (distance) P-C4' energy: -36.430
flat angles C4'-P-C4' energy: -42.483
flat angles P-C4'-P energy: -30.025
tors. eta vs tors. theta energy: -64.766
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: 9
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -606.132427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.132427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.132427 (E_RNA)
where:
Base-Base interactions energy: -389.463
where: short stacking energy: -183.310
Base-Backbone interact. energy: -1.308
local terms energy: -215.361161
where:
bonds (distance) C4'-P energy: -46.292
bonds (distance) P-C4' energy: -35.433
flat angles C4'-P-C4' energy: -42.023
flat angles P-C4'-P energy: -30.199
tors. eta vs tors. theta energy: -61.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -573.757454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.757454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.757454 (E_RNA)
where:
Base-Base interactions energy: -375.845
where: short stacking energy: -179.737
Base-Backbone interact. energy: -0.343
local terms energy: -197.568977
where:
bonds (distance) C4'-P energy: -34.868
bonds (distance) P-C4' energy: -41.470
flat angles C4'-P-C4' energy: -47.872
flat angles P-C4'-P energy: -24.726
tors. eta vs tors. theta energy: -48.633
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: 5, replica: 7
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -533.585676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.585676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.585676 (E_RNA)
where:
Base-Base interactions energy: -348.021
where: short stacking energy: -165.525
Base-Backbone interact. energy: -0.143
local terms energy: -185.421160
where:
bonds (distance) C4'-P energy: -36.357
bonds (distance) P-C4' energy: -34.152
flat angles C4'-P-C4' energy: -41.386
flat angles P-C4'-P energy: -25.001
tors. eta vs tors. theta energy: -48.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -530.228778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.228778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.228778 (E_RNA)
where:
Base-Base interactions energy: -349.457
where: short stacking energy: -152.765
Base-Backbone interact. energy: -0.069
local terms energy: -180.702373
where:
bonds (distance) C4'-P energy: -28.763
bonds (distance) P-C4' energy: -34.476
flat angles C4'-P-C4' energy: -37.304
flat angles P-C4'-P energy: -29.454
tors. eta vs tors. theta energy: -50.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -329.108916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.108916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.108916 (E_RNA)
where:
Base-Base interactions energy: -173.699
where: short stacking energy: -98.816
Base-Backbone interact. energy: 0.534
local terms energy: -155.944046
where:
bonds (distance) C4'-P energy: -35.111
bonds (distance) P-C4' energy: -34.255
flat angles C4'-P-C4' energy: -34.943
flat angles P-C4'-P energy: -33.020
tors. eta vs tors. theta energy: -18.615
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: 117
Temperature: 1.250000
Total energy: -178.611890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.611890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.611890 (E_RNA)
where:
Base-Base interactions energy: -67.995
where: short stacking energy: -43.875
Base-Backbone interact. energy: -0.819
local terms energy: -109.798146
where:
bonds (distance) C4'-P energy: -26.685
bonds (distance) P-C4' energy: -35.451
flat angles C4'-P-C4' energy: -28.080
flat angles P-C4'-P energy: -18.105
tors. eta vs tors. theta energy: -1.478
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: 9, replica: 5
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -192.496580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.496580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.496580 (E_RNA)
where:
Base-Base interactions energy: -68.912
where: short stacking energy: -62.146
Base-Backbone interact. energy: -0.556
local terms energy: -123.028755
where:
bonds (distance) C4'-P energy: -36.055
bonds (distance) P-C4' energy: -39.363
flat angles C4'-P-C4' energy: -29.183
flat angles P-C4'-P energy: -22.154
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: 10, replica: 3
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -176.861357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.861357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.861357 (E_RNA)
where:
Base-Base interactions energy: -66.246
where: short stacking energy: -45.275
Base-Backbone interact. energy: 1.604
local terms energy: -112.219662
where:
bonds (distance) C4'-P energy: -32.413
bonds (distance) P-C4' energy: -32.492
flat angles C4'-P-C4' energy: -33.290
flat angles P-C4'-P energy: -19.591
tors. eta vs tors. theta energy: 5.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -650.451565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.451565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.451565 (E_RNA)
where:
Base-Base interactions energy: -433.032
where: short stacking energy: -190.772
Base-Backbone interact. energy: -0.254
local terms energy: -217.164832
where:
bonds (distance) C4'-P energy: -38.971
bonds (distance) P-C4' energy: -37.679
flat angles C4'-P-C4' energy: -42.920
flat angles P-C4'-P energy: -37.845
tors. eta vs tors. theta energy: -59.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -594.579583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.579583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.579583 (E_RNA)
where:
Base-Base interactions energy: -389.284
where: short stacking energy: -187.428
Base-Backbone interact. energy: 0.215
local terms energy: -205.509983
where:
bonds (distance) C4'-P energy: -35.820
bonds (distance) P-C4' energy: -36.891
flat angles C4'-P-C4' energy: -41.547
flat angles P-C4'-P energy: -33.993
tors. eta vs tors. theta energy: -57.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -611.757333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.757333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.757333 (E_RNA)
where:
Base-Base interactions energy: -400.836
where: short stacking energy: -199.685
Base-Backbone interact. energy: -1.061
local terms energy: -209.860338
where:
bonds (distance) C4'-P energy: -45.317
bonds (distance) P-C4' energy: -30.088
flat angles C4'-P-C4' energy: -47.184
flat angles P-C4'-P energy: -29.518
tors. eta vs tors. theta energy: -57.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -559.160683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.160683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.160683 (E_RNA)
where:
Base-Base interactions energy: -367.884
where: short stacking energy: -174.676
Base-Backbone interact. energy: -0.633
local terms energy: -190.644232
where:
bonds (distance) C4'-P energy: -41.395
bonds (distance) P-C4' energy: -31.752
flat angles C4'-P-C4' energy: -36.647
flat angles P-C4'-P energy: -23.824
tors. eta vs tors. theta energy: -57.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -552.559730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.559730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.559730 (E_RNA)
where:
Base-Base interactions energy: -358.824
where: short stacking energy: -165.743
Base-Backbone interact. energy: -0.579
local terms energy: -193.156576
where:
bonds (distance) C4'-P energy: -31.796
bonds (distance) P-C4' energy: -41.098
flat angles C4'-P-C4' energy: -39.044
flat angles P-C4'-P energy: -25.474
tors. eta vs tors. theta energy: -55.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -507.373217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.373217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.373217 (E_RNA)
where:
Base-Base interactions energy: -334.043
where: short stacking energy: -152.121
Base-Backbone interact. energy: -0.342
local terms energy: -172.988056
where:
bonds (distance) C4'-P energy: -34.091
bonds (distance) P-C4' energy: -27.330
flat angles C4'-P-C4' energy: -36.805
flat angles P-C4'-P energy: -23.095
tors. eta vs tors. theta energy: -51.667
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: 7, replica: 10
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -293.914402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.914402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.914402 (E_RNA)
where:
Base-Base interactions energy: -143.278
where: short stacking energy: -76.403
Base-Backbone interact. energy: 0.150
local terms energy: -150.786374
where:
bonds (distance) C4'-P energy: -34.532
bonds (distance) P-C4' energy: -40.714
flat angles C4'-P-C4' energy: -33.959
flat angles P-C4'-P energy: -30.261
tors. eta vs tors. theta energy: -11.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -195.052097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.052097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.052097 (E_RNA)
where:
Base-Base interactions energy: -80.453
where: short stacking energy: -66.282
Base-Backbone interact. energy: -0.233
local terms energy: -114.365805
where:
bonds (distance) C4'-P energy: -43.432
bonds (distance) P-C4' energy: -31.278
flat angles C4'-P-C4' energy: -24.689
flat angles P-C4'-P energy: -18.519
tors. eta vs tors. theta energy: 3.552
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: 118
Temperature: 1.300000
Total energy: -169.632497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.632497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.632497 (E_RNA)
where:
Base-Base interactions energy: -44.488
where: short stacking energy: -32.544
Base-Backbone interact. energy: -1.603
local terms energy: -123.541769
where:
bonds (distance) C4'-P energy: -40.634
bonds (distance) P-C4' energy: -35.435
flat angles C4'-P-C4' energy: -24.515
flat angles P-C4'-P energy: -21.310
tors. eta vs tors. theta energy: -1.648
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: 10, replica: 3
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -163.469442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.469442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.469442 (E_RNA)
where:
Base-Base interactions energy: -58.261
where: short stacking energy: -39.946
Base-Backbone interact. energy: 0.648
local terms energy: -105.856045
where:
bonds (distance) C4'-P energy: -33.744
bonds (distance) P-C4' energy: -36.847
flat angles C4'-P-C4' energy: -31.435
flat angles P-C4'-P energy: -14.060
tors. eta vs tors. theta energy: 10.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -647.029093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.029093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.029093 (E_RNA)
where:
Base-Base interactions energy: -423.578
where: short stacking energy: -200.878
Base-Backbone interact. energy: -0.848
local terms energy: -222.602932
where:
bonds (distance) C4'-P energy: -43.282
bonds (distance) P-C4' energy: -45.091
flat angles C4'-P-C4' energy: -43.588
flat angles P-C4'-P energy: -31.734
tors. eta vs tors. theta energy: -58.908
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: 9
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -628.883373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.883373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.883373 (E_RNA)
where:
Base-Base interactions energy: -418.690
where: short stacking energy: -178.570
Base-Backbone interact. energy: -2.013
local terms energy: -208.180118
where:
bonds (distance) C4'-P energy: -36.824
bonds (distance) P-C4' energy: -39.274
flat angles C4'-P-C4' energy: -44.817
flat angles P-C4'-P energy: -32.047
tors. eta vs tors. theta energy: -55.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -616.082654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.082654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.082654 (E_RNA)
where:
Base-Base interactions energy: -401.377
where: short stacking energy: -181.968
Base-Backbone interact. energy: -1.036
local terms energy: -213.670273
where:
bonds (distance) C4'-P energy: -39.566
bonds (distance) P-C4' energy: -37.131
flat angles C4'-P-C4' energy: -45.025
flat angles P-C4'-P energy: -36.864
tors. eta vs tors. theta energy: -55.085
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: 2
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -577.011393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.011393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.011393 (E_RNA)
where:
Base-Base interactions energy: -380.748
where: short stacking energy: -172.181
Base-Backbone interact. energy: -0.401
local terms energy: -195.861496
where:
bonds (distance) C4'-P energy: -30.971
bonds (distance) P-C4' energy: -37.938
flat angles C4'-P-C4' energy: -43.711
flat angles P-C4'-P energy: -27.311
tors. eta vs tors. theta energy: -55.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -552.930893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.930893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.930893 (E_RNA)
where:
Base-Base interactions energy: -351.216
where: short stacking energy: -167.937
Base-Backbone interact. energy: -0.132
local terms energy: -201.583128
where:
bonds (distance) C4'-P energy: -40.186
bonds (distance) P-C4' energy: -42.920
flat angles C4'-P-C4' energy: -32.031
flat angles P-C4'-P energy: -30.085
tors. eta vs tors. theta energy: -56.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -522.880914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.880914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.880914 (E_RNA)
where:
Base-Base interactions energy: -362.489
where: short stacking energy: -157.476
Base-Backbone interact. energy: -0.124
local terms energy: -160.267932
where:
bonds (distance) C4'-P energy: -31.157
bonds (distance) P-C4' energy: -35.350
flat angles C4'-P-C4' energy: -27.217
flat angles P-C4'-P energy: -23.212
tors. eta vs tors. theta energy: -43.332
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: 10
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -292.711880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.711880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.711880 (E_RNA)
where:
Base-Base interactions energy: -161.798
where: short stacking energy: -92.240
Base-Backbone interact. energy: -1.211
local terms energy: -129.702892
where:
bonds (distance) C4'-P energy: -29.801
bonds (distance) P-C4' energy: -36.607
flat angles C4'-P-C4' energy: -34.993
flat angles P-C4'-P energy: -12.718
tors. eta vs tors. theta energy: -15.584
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: 119
Temperature: 1.250000
Total energy: -209.196790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.196790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.196790 (E_RNA)
where:
Base-Base interactions energy: -80.113
where: short stacking energy: -49.427
Base-Backbone interact. energy: -0.913
local terms energy: -128.171036
where:
bonds (distance) C4'-P energy: -28.654
bonds (distance) P-C4' energy: -34.891
flat angles C4'-P-C4' energy: -35.272
flat angles P-C4'-P energy: -20.133
tors. eta vs tors. theta energy: -9.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -177.758688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.758688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.758688 (E_RNA)
where:
Base-Base interactions energy: -52.685
where: short stacking energy: -52.432
Base-Backbone interact. energy: -0.765
local terms energy: -124.308730
where:
bonds (distance) C4'-P energy: -28.443
bonds (distance) P-C4' energy: -38.979
flat angles C4'-P-C4' energy: -39.975
flat angles P-C4'-P energy: -19.140
tors. eta vs tors. theta energy: 2.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -172.408456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.408456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.408456 (E_RNA)
where:
Base-Base interactions energy: -68.242
where: short stacking energy: -56.829
Base-Backbone interact. energy: 1.161
local terms energy: -105.327526
where:
bonds (distance) C4'-P energy: -32.782
bonds (distance) P-C4' energy: -28.797
flat angles C4'-P-C4' energy: -24.246
flat angles P-C4'-P energy: -18.416
tors. eta vs tors. theta energy: -1.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -638.249086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.249086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.249086 (E_RNA)
where:
Base-Base interactions energy: -438.436
where: short stacking energy: -202.059
Base-Backbone interact. energy: 1.647
local terms energy: -201.460302
where:
bonds (distance) C4'-P energy: -33.683
bonds (distance) P-C4' energy: -43.678
flat angles C4'-P-C4' energy: -39.242
flat angles P-C4'-P energy: -27.028
tors. eta vs tors. theta energy: -57.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -639.258823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.258823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.258823 (E_RNA)
where:
Base-Base interactions energy: -434.039
where: short stacking energy: -186.350
Base-Backbone interact. energy: 2.623
local terms energy: -207.842232
where:
bonds (distance) C4'-P energy: -44.054
bonds (distance) P-C4' energy: -42.691
flat angles C4'-P-C4' energy: -39.300
flat angles P-C4'-P energy: -29.004
tors. eta vs tors. theta energy: -52.794
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: 2
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -609.360063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.360063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.360063 (E_RNA)
where:
Base-Base interactions energy: -395.413
where: short stacking energy: -177.984
Base-Backbone interact. energy: -0.394
local terms energy: -213.553549
where:
bonds (distance) C4'-P energy: -34.908
bonds (distance) P-C4' energy: -44.065
flat angles C4'-P-C4' energy: -42.556
flat angles P-C4'-P energy: -28.191
tors. eta vs tors. theta energy: -63.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -595.966291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.966291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.966291 (E_RNA)
where:
Base-Base interactions energy: -390.458
where: short stacking energy: -172.916
Base-Backbone interact. energy: -1.837
local terms energy: -203.671242
where:
bonds (distance) C4'-P energy: -36.989
bonds (distance) P-C4' energy: -42.445
flat angles C4'-P-C4' energy: -39.055
flat angles P-C4'-P energy: -30.828
tors. eta vs tors. theta energy: -54.354
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: 7
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -552.974888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.974888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.974888 (E_RNA)
where:
Base-Base interactions energy: -355.952
where: short stacking energy: -165.727
Base-Backbone interact. energy: -0.418
local terms energy: -196.604753
where:
bonds (distance) C4'-P energy: -39.340
bonds (distance) P-C4' energy: -35.683
flat angles C4'-P-C4' energy: -40.636
flat angles P-C4'-P energy: -31.257
tors. eta vs tors. theta energy: -49.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -550.642844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.642844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.642844 (E_RNA)
where:
Base-Base interactions energy: -366.345
where: short stacking energy: -174.824
Base-Backbone interact. energy: -0.169
local terms energy: -184.129211
where:
bonds (distance) C4'-P energy: -29.377
bonds (distance) P-C4' energy: -40.357
flat angles C4'-P-C4' energy: -38.582
flat angles P-C4'-P energy: -23.381
tors. eta vs tors. theta energy: -52.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -295.448325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.448325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.448325 (E_RNA)
where:
Base-Base interactions energy: -154.947
where: short stacking energy: -78.689
Base-Backbone interact. energy: -0.711
local terms energy: -139.790566
where:
bonds (distance) C4'-P energy: -37.766
bonds (distance) P-C4' energy: -34.525
flat angles C4'-P-C4' energy: -33.997
flat angles P-C4'-P energy: -24.752
tors. eta vs tors. theta energy: -8.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -217.267110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.267110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.267110 (E_RNA)
where:
Base-Base interactions energy: -78.299
where: short stacking energy: -64.315
Base-Backbone interact. energy: -1.100
local terms energy: -137.868014
where:
bonds (distance) C4'-P energy: -34.557
bonds (distance) P-C4' energy: -40.686
flat angles C4'-P-C4' energy: -32.046
flat angles P-C4'-P energy: -24.716
tors. eta vs tors. theta energy: -5.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -195.498092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.498092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.498092 (E_RNA)
where:
Base-Base interactions energy: -75.269
where: short stacking energy: -71.151
Base-Backbone interact. energy: -0.917
local terms energy: -119.312732
where:
bonds (distance) C4'-P energy: -36.323
bonds (distance) P-C4' energy: -34.982
flat angles C4'-P-C4' energy: -34.468
flat angles P-C4'-P energy: -11.382
tors. eta vs tors. theta energy: -2.158
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: 5
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -159.155975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.155975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.155975 (E_RNA)
where:
Base-Base interactions energy: -43.384
where: short stacking energy: -43.258
Base-Backbone interact. energy: -0.459
local terms energy: -115.313462
where:
bonds (distance) C4'-P energy: -36.876
bonds (distance) P-C4' energy: -31.381
flat angles C4'-P-C4' energy: -27.917
flat angles P-C4'-P energy: -16.610
tors. eta vs tors. theta energy: -2.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -637.712811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.712811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.712811 (E_RNA)
where:
Base-Base interactions energy: -414.254
where: short stacking energy: -188.146
Base-Backbone interact. energy: -1.182
local terms energy: -222.277440
where:
bonds (distance) C4'-P energy: -43.867
bonds (distance) P-C4' energy: -39.898
flat angles C4'-P-C4' energy: -47.834
flat angles P-C4'-P energy: -35.564
tors. eta vs tors. theta energy: -55.114
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: 2
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -626.941321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.941321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.941321 (E_RNA)
where:
Base-Base interactions energy: -421.600
where: short stacking energy: -170.758
Base-Backbone interact. energy: -0.683
local terms energy: -204.659008
where:
bonds (distance) C4'-P energy: -41.923
bonds (distance) P-C4' energy: -32.195
flat angles C4'-P-C4' energy: -47.215
flat angles P-C4'-P energy: -23.751
tors. eta vs tors. theta energy: -59.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -632.167359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.167359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.167359 (E_RNA)
where:
Base-Base interactions energy: -420.630
where: short stacking energy: -179.637
Base-Backbone interact. energy: -1.550
local terms energy: -209.986862
where:
bonds (distance) C4'-P energy: -36.592
bonds (distance) P-C4' energy: -38.384
flat angles C4'-P-C4' energy: -42.017
flat angles P-C4'-P energy: -35.299
tors. eta vs tors. theta energy: -57.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -569.639325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.639325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.639325 (E_RNA)
where:
Base-Base interactions energy: -361.359
where: short stacking energy: -161.714
Base-Backbone interact. energy: -0.456
local terms energy: -207.825051
where:
bonds (distance) C4'-P energy: -37.025
bonds (distance) P-C4' energy: -44.556
flat angles C4'-P-C4' energy: -39.336
flat angles P-C4'-P energy: -36.819
tors. eta vs tors. theta energy: -50.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -591.555747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.555747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.555747 (E_RNA)
where:
Base-Base interactions energy: -380.748
where: short stacking energy: -177.273
Base-Backbone interact. energy: -0.169
local terms energy: -210.639143
where:
bonds (distance) C4'-P energy: -37.354
bonds (distance) P-C4' energy: -41.390
flat angles C4'-P-C4' energy: -40.475
flat angles P-C4'-P energy: -29.450
tors. eta vs tors. theta energy: -61.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -558.449422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.449422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.449422 (E_RNA)
where:
Base-Base interactions energy: -348.980
where: short stacking energy: -179.647
Base-Backbone interact. energy: -0.056
local terms energy: -209.413619
where:
bonds (distance) C4'-P energy: -34.478
bonds (distance) P-C4' energy: -42.258
flat angles C4'-P-C4' energy: -48.192
flat angles P-C4'-P energy: -26.428
tors. eta vs tors. theta energy: -58.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -290.998224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.998224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.998224 (E_RNA)
where:
Base-Base interactions energy: -152.117
where: short stacking energy: -89.433
Base-Backbone interact. energy: -0.534
local terms energy: -138.347072
where:
bonds (distance) C4'-P energy: -27.620
bonds (distance) P-C4' energy: -37.094
flat angles C4'-P-C4' energy: -30.921
flat angles P-C4'-P energy: -25.077
tors. eta vs tors. theta energy: -17.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -190.971920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.971920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.971920 (E_RNA)
where:
Base-Base interactions energy: -70.297
where: short stacking energy: -56.732
Base-Backbone interact. energy: -0.264
local terms energy: -120.411196
where:
bonds (distance) C4'-P energy: -28.026
bonds (distance) P-C4' energy: -42.720
flat angles C4'-P-C4' energy: -30.616
flat angles P-C4'-P energy: -11.805
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: 9, replica: 1
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -191.938610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.938610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.938610 (E_RNA)
where:
Base-Base interactions energy: -66.701
where: short stacking energy: -59.762
Base-Backbone interact. energy: -0.913
local terms energy: -124.324372
where:
bonds (distance) C4'-P energy: -33.312
bonds (distance) P-C4' energy: -37.603
flat angles C4'-P-C4' energy: -37.396
flat angles P-C4'-P energy: -11.073
tors. eta vs tors. theta energy: -4.940
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: 5
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -175.891971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.891971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.891971 (E_RNA)
where:
Base-Base interactions energy: -45.547
where: short stacking energy: -42.777
Base-Backbone interact. energy: -0.858
local terms energy: -129.487397
where:
bonds (distance) C4'-P energy: -36.240
bonds (distance) P-C4' energy: -36.436
flat angles C4'-P-C4' energy: -36.232
flat angles P-C4'-P energy: -19.592
tors. eta vs tors. theta energy: -0.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -627.076848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.076848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.076848 (E_RNA)
where:
Base-Base interactions energy: -421.428
where: short stacking energy: -191.792
Base-Backbone interact. energy: -0.115
local terms energy: -205.534034
where:
bonds (distance) C4'-P energy: -45.702
bonds (distance) P-C4' energy: -30.465
flat angles C4'-P-C4' energy: -42.622
flat angles P-C4'-P energy: -26.368
tors. eta vs tors. theta energy: -60.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -619.453191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.453191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.453191 (E_RNA)
where:
Base-Base interactions energy: -421.038
where: short stacking energy: -195.264
Base-Backbone interact. energy: -0.273
local terms energy: -198.141552
where:
bonds (distance) C4'-P energy: -32.512
bonds (distance) P-C4' energy: -40.338
flat angles C4'-P-C4' energy: -41.130
flat angles P-C4'-P energy: -25.273
tors. eta vs tors. theta energy: -58.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -611.585777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.585777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.585777 (E_RNA)
where:
Base-Base interactions energy: -423.418
where: short stacking energy: -181.728
Base-Backbone interact. energy: -1.604
local terms energy: -186.563265
where:
bonds (distance) C4'-P energy: -36.868
bonds (distance) P-C4' energy: -42.712
flat angles C4'-P-C4' energy: -31.177
flat angles P-C4'-P energy: -23.499
tors. eta vs tors. theta energy: -52.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -588.840498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.840498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.840498 (E_RNA)
where:
Base-Base interactions energy: -390.004
where: short stacking energy: -166.953
Base-Backbone interact. energy: -0.365
local terms energy: -198.471241
where:
bonds (distance) C4'-P energy: -38.582
bonds (distance) P-C4' energy: -39.213
flat angles C4'-P-C4' energy: -40.733
flat angles P-C4'-P energy: -28.538
tors. eta vs tors. theta energy: -51.405
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: 8
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -601.324294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.324294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.324294 (E_RNA)
where:
Base-Base interactions energy: -392.749
where: short stacking energy: -174.463
Base-Backbone interact. energy: -0.247
local terms energy: -208.327686
where:
bonds (distance) C4'-P energy: -39.719
bonds (distance) P-C4' energy: -43.103
flat angles C4'-P-C4' energy: -41.459
flat angles P-C4'-P energy: -31.393
tors. eta vs tors. theta energy: -52.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -532.929793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.929793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.929793 (E_RNA)
where:
Base-Base interactions energy: -360.994
where: short stacking energy: -173.114
Base-Backbone interact. energy: -0.100
local terms energy: -171.836518
where:
bonds (distance) C4'-P energy: -29.787
bonds (distance) P-C4' energy: -33.608
flat angles C4'-P-C4' energy: -40.832
flat angles P-C4'-P energy: -19.299
tors. eta vs tors. theta energy: -48.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -278.916000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.916000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.916000 (E_RNA)
where:
Base-Base interactions energy: -130.841
where: short stacking energy: -89.562
Base-Backbone interact. energy: 1.714
local terms energy: -149.788564
where:
bonds (distance) C4'-P energy: -33.491
bonds (distance) P-C4' energy: -42.671
flat angles C4'-P-C4' energy: -35.030
flat angles P-C4'-P energy: -24.218
tors. eta vs tors. theta energy: -14.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -207.469597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.469597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.469597 (E_RNA)
where:
Base-Base interactions energy: -78.715
where: short stacking energy: -75.302
Base-Backbone interact. energy: 1.406
local terms energy: -130.160765
where:
bonds (distance) C4'-P energy: -33.104
bonds (distance) P-C4' energy: -31.680
flat angles C4'-P-C4' energy: -38.192
flat angles P-C4'-P energy: -16.016
tors. eta vs tors. theta energy: -11.169
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: 5
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -181.149766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.149766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.149766 (E_RNA)
where:
Base-Base interactions energy: -59.166
where: short stacking energy: -56.538
Base-Backbone interact. energy: -1.080
local terms energy: -120.903751
where:
bonds (distance) C4'-P energy: -30.217
bonds (distance) P-C4' energy: -35.935
flat angles C4'-P-C4' energy: -30.853
flat angles P-C4'-P energy: -23.193
tors. eta vs tors. theta energy: -0.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -170.762494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.762494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.762494 (E_RNA)
where:
Base-Base interactions energy: -53.013
where: short stacking energy: -42.050
Base-Backbone interact. energy: 2.535
local terms energy: -120.284424
where:
bonds (distance) C4'-P energy: -40.191
bonds (distance) P-C4' energy: -36.478
flat angles C4'-P-C4' energy: -24.880
flat angles P-C4'-P energy: -20.469
tors. eta vs tors. theta energy: 1.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -624.624254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.624254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.624254 (E_RNA)
where:
Base-Base interactions energy: -411.588
where: short stacking energy: -190.426
Base-Backbone interact. energy: -0.161
local terms energy: -212.875338
where:
bonds (distance) C4'-P energy: -40.572
bonds (distance) P-C4' energy: -29.105
flat angles C4'-P-C4' energy: -49.066
flat angles P-C4'-P energy: -33.501
tors. eta vs tors. theta energy: -60.631
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: 9
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -638.547888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.547888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.547888 (E_RNA)
where:
Base-Base interactions energy: -416.895
where: short stacking energy: -201.270
Base-Backbone interact. energy: -0.378
local terms energy: -221.274462
where:
bonds (distance) C4'-P energy: -39.865
bonds (distance) P-C4' energy: -40.239
flat angles C4'-P-C4' energy: -44.048
flat angles P-C4'-P energy: -35.992
tors. eta vs tors. theta energy: -61.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -610.439882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.439882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.439882 (E_RNA)
where:
Base-Base interactions energy: -402.997
where: short stacking energy: -183.317
Base-Backbone interact. energy: -0.052
local terms energy: -207.390817
where:
bonds (distance) C4'-P energy: -33.292
bonds (distance) P-C4' energy: -39.438
flat angles C4'-P-C4' energy: -44.036
flat angles P-C4'-P energy: -29.371
tors. eta vs tors. theta energy: -61.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -575.631575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.631575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.631575 (E_RNA)
where:
Base-Base interactions energy: -389.828
where: short stacking energy: -171.796
Base-Backbone interact. energy: -1.119
local terms energy: -184.684716
where:
bonds (distance) C4'-P energy: -34.986
bonds (distance) P-C4' energy: -37.689
flat angles C4'-P-C4' energy: -37.658
flat angles P-C4'-P energy: -27.481
tors. eta vs tors. theta energy: -46.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -554.498718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.498718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.498718 (E_RNA)
where:
Base-Base interactions energy: -363.107
where: short stacking energy: -171.136
Base-Backbone interact. energy: -0.524
local terms energy: -190.867329
where:
bonds (distance) C4'-P energy: -35.840
bonds (distance) P-C4' energy: -37.446
flat angles C4'-P-C4' energy: -42.332
flat angles P-C4'-P energy: -29.266
tors. eta vs tors. theta energy: -45.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -551.628946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.628946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.628946 (E_RNA)
where:
Base-Base interactions energy: -362.164
where: short stacking energy: -165.802
Base-Backbone interact. energy: 1.427
local terms energy: -190.891867
where:
bonds (distance) C4'-P energy: -31.339
bonds (distance) P-C4' energy: -38.029
flat angles C4'-P-C4' energy: -42.611
flat angles P-C4'-P energy: -33.518
tors. eta vs tors. theta energy: -45.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -256.624207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.624207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.624207 (E_RNA)
where:
Base-Base interactions energy: -121.112
where: short stacking energy: -90.932
Base-Backbone interact. energy: -0.230
local terms energy: -135.281951
where:
bonds (distance) C4'-P energy: -27.916
bonds (distance) P-C4' energy: -34.475
flat angles C4'-P-C4' energy: -37.769
flat angles P-C4'-P energy: -24.046
tors. eta vs tors. theta energy: -11.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -184.740276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.740276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.740276 (E_RNA)
where:
Base-Base interactions energy: -64.150
where: short stacking energy: -52.869
Base-Backbone interact. energy: -0.853
local terms energy: -119.737619
where:
bonds (distance) C4'-P energy: -38.597
bonds (distance) P-C4' energy: -41.180
flat angles C4'-P-C4' energy: -31.540
flat angles P-C4'-P energy: -10.607
tors. eta vs tors. theta energy: 2.186
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: 9, replica: 3
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -184.690436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.690436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.690436 (E_RNA)
where:
Base-Base interactions energy: -71.370
where: short stacking energy: -55.075
Base-Backbone interact. energy: 1.157
local terms energy: -114.476601
where:
bonds (distance) C4'-P energy: -31.529
bonds (distance) P-C4' energy: -32.463
flat angles C4'-P-C4' energy: -28.165
flat angles P-C4'-P energy: -21.237
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: 1
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -166.026570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.026570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.026570 (E_RNA)
where:
Base-Base interactions energy: -50.105
where: short stacking energy: -50.105
Base-Backbone interact. energy: -0.441
local terms energy: -115.481131
where:
bonds (distance) C4'-P energy: -42.676
bonds (distance) P-C4' energy: -35.200
flat angles C4'-P-C4' energy: -30.466
flat angles P-C4'-P energy: -10.915
tors. eta vs tors. theta energy: 3.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -654.523919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.523919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.523919 (E_RNA)
where:
Base-Base interactions energy: -435.230
where: short stacking energy: -199.350
Base-Backbone interact. energy: -0.870
local terms energy: -218.424178
where:
bonds (distance) C4'-P energy: -38.789
bonds (distance) P-C4' energy: -41.894
flat angles C4'-P-C4' energy: -48.795
flat angles P-C4'-P energy: -30.267
tors. eta vs tors. theta energy: -58.678
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: 2
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -639.584880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.584880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.584880 (E_RNA)
where:
Base-Base interactions energy: -420.526
where: short stacking energy: -187.167
Base-Backbone interact. energy: -0.211
local terms energy: -218.847991
where:
bonds (distance) C4'-P energy: -36.358
bonds (distance) P-C4' energy: -39.491
flat angles C4'-P-C4' energy: -46.691
flat angles P-C4'-P energy: -33.656
tors. eta vs tors. theta energy: -62.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -599.989226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.989226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.989226 (E_RNA)
where:
Base-Base interactions energy: -410.112
where: short stacking energy: -191.919
Base-Backbone interact. energy: 0.373
local terms energy: -190.250687
where:
bonds (distance) C4'-P energy: -35.455
bonds (distance) P-C4' energy: -33.855
flat angles C4'-P-C4' energy: -36.634
flat angles P-C4'-P energy: -29.073
tors. eta vs tors. theta energy: -55.234
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: 4, replica: 6
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -591.031901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.031901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.031901 (E_RNA)
where:
Base-Base interactions energy: -399.242
where: short stacking energy: -182.512
Base-Backbone interact. energy: 1.906
local terms energy: -193.695721
where:
bonds (distance) C4'-P energy: -25.960
bonds (distance) P-C4' energy: -41.074
flat angles C4'-P-C4' energy: -44.531
flat angles P-C4'-P energy: -28.307
tors. eta vs tors. theta energy: -53.825
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: 7
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -582.310109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.310109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.310109 (E_RNA)
where:
Base-Base interactions energy: -380.403
where: short stacking energy: -170.028
Base-Backbone interact. energy: -0.418
local terms energy: -201.489156
where:
bonds (distance) C4'-P energy: -34.691
bonds (distance) P-C4' energy: -42.539
flat angles C4'-P-C4' energy: -44.558
flat angles P-C4'-P energy: -23.588
tors. eta vs tors. theta energy: -56.112
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: 6, replica: 4
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -546.290573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.290573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.290573 (E_RNA)
where:
Base-Base interactions energy: -351.408
where: short stacking energy: -165.034
Base-Backbone interact. energy: -0.059
local terms energy: -194.823420
where:
bonds (distance) C4'-P energy: -36.045
bonds (distance) P-C4' energy: -38.285
flat angles C4'-P-C4' energy: -40.514
flat angles P-C4'-P energy: -26.345
tors. eta vs tors. theta energy: -53.635
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: 5
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -204.633453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.633453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.633453 (E_RNA)
where:
Base-Base interactions energy: -69.432
where: short stacking energy: -65.998
Base-Backbone interact. energy: -0.272
local terms energy: -134.929983
where:
bonds (distance) C4'-P energy: -43.168
bonds (distance) P-C4' energy: -35.846
flat angles C4'-P-C4' energy: -32.037
flat angles P-C4'-P energy: -15.795
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: 8, replica: 10
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -226.579807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.579807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.579807 (E_RNA)
where:
Base-Base interactions energy: -104.235
where: short stacking energy: -59.594
Base-Backbone interact. energy: -1.223
local terms energy: -121.121385
where:
bonds (distance) C4'-P energy: -33.029
bonds (distance) P-C4' energy: -42.870
flat angles C4'-P-C4' energy: -34.568
flat angles P-C4'-P energy: -10.025
tors. eta vs tors. theta energy: -0.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -188.408085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.408085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.408085 (E_RNA)
where:
Base-Base interactions energy: -66.908
where: short stacking energy: -66.118
Base-Backbone interact. energy: -0.424
local terms energy: -121.076675
where:
bonds (distance) C4'-P energy: -28.594
bonds (distance) P-C4' energy: -34.251
flat angles C4'-P-C4' energy: -34.797
flat angles P-C4'-P energy: -19.695
tors. eta vs tors. theta energy: -3.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -173.691883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.691883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.691883 (E_RNA)
where:
Base-Base interactions energy: -60.671
where: short stacking energy: -43.985
Base-Backbone interact. energy: -0.568
local terms energy: -112.453001
where:
bonds (distance) C4'-P energy: -36.958
bonds (distance) P-C4' energy: -31.647
flat angles C4'-P-C4' energy: -28.806
flat angles P-C4'-P energy: -8.093
tors. eta vs tors. theta energy: -6.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -624.354405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.354405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.354405 (E_RNA)
where:
Base-Base interactions energy: -419.935
where: short stacking energy: -200.508
Base-Backbone interact. energy: -2.170
local terms energy: -202.249249
where:
bonds (distance) C4'-P energy: -39.578
bonds (distance) P-C4' energy: -30.607
flat angles C4'-P-C4' energy: -45.441
flat angles P-C4'-P energy: -25.249
tors. eta vs tors. theta energy: -61.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -618.380339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.380339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.380339 (E_RNA)
where:
Base-Base interactions energy: -404.747
where: short stacking energy: -197.808
Base-Backbone interact. energy: -1.238
local terms energy: -212.394396
where:
bonds (distance) C4'-P energy: -38.107
bonds (distance) P-C4' energy: -44.659
flat angles C4'-P-C4' energy: -41.533
flat angles P-C4'-P energy: -27.478
tors. eta vs tors. theta energy: -60.618
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: 3, replica: 2
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -609.993604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.993604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.993604 (E_RNA)
where:
Base-Base interactions energy: -405.821
where: short stacking energy: -193.302
Base-Backbone interact. energy: -0.404
local terms energy: -203.768524
where:
bonds (distance) C4'-P energy: -38.034
bonds (distance) P-C4' energy: -37.149
flat angles C4'-P-C4' energy: -34.831
flat angles P-C4'-P energy: -32.995
tors. eta vs tors. theta energy: -60.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -610.576125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.576125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.576125 (E_RNA)
where:
Base-Base interactions energy: -404.618
where: short stacking energy: -181.596
Base-Backbone interact. energy: 0.578
local terms energy: -206.536075
where:
bonds (distance) C4'-P energy: -38.819
bonds (distance) P-C4' energy: -40.284
flat angles C4'-P-C4' energy: -43.029
flat angles P-C4'-P energy: -25.209
tors. eta vs tors. theta energy: -59.195
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: 7
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -556.194606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.194606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.194606 (E_RNA)
where:
Base-Base interactions energy: -366.042
where: short stacking energy: -160.456
Base-Backbone interact. energy: -0.093
local terms energy: -190.060110
where:
bonds (distance) C4'-P energy: -42.883
bonds (distance) P-C4' energy: -39.268
flat angles C4'-P-C4' energy: -40.038
flat angles P-C4'-P energy: -21.982
tors. eta vs tors. theta energy: -45.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -530.073415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.073415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.073415 (E_RNA)
where:
Base-Base interactions energy: -336.241
where: short stacking energy: -160.136
Base-Backbone interact. energy: -0.139
local terms energy: -193.693538
where:
bonds (distance) C4'-P energy: -33.858
bonds (distance) P-C4' energy: -38.248
flat angles C4'-P-C4' energy: -42.213
flat angles P-C4'-P energy: -29.916
tors. eta vs tors. theta energy: -49.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -218.634071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.634071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.634071 (E_RNA)
where:
Base-Base interactions energy: -80.285
where: short stacking energy: -67.652
Base-Backbone interact. energy: -0.589
local terms energy: -137.760724
where:
bonds (distance) C4'-P energy: -39.864
bonds (distance) P-C4' energy: -37.312
flat angles C4'-P-C4' energy: -33.496
flat angles P-C4'-P energy: -20.381
tors. eta vs tors. theta energy: -6.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -221.117095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.117095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.117095 (E_RNA)
where:
Base-Base interactions energy: -102.390
where: short stacking energy: -52.679
Base-Backbone interact. energy: 1.048
local terms energy: -119.775779
where:
bonds (distance) C4'-P energy: -34.943
bonds (distance) P-C4' energy: -31.226
flat angles C4'-P-C4' energy: -26.984
flat angles P-C4'-P energy: -24.817
tors. eta vs tors. theta energy: -1.806
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: 10
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -195.595415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.595415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.595415 (E_RNA)
where:
Base-Base interactions energy: -84.705
where: short stacking energy: -48.476
Base-Backbone interact. energy: -1.060
local terms energy: -109.830360
where:
bonds (distance) C4'-P energy: -30.951
bonds (distance) P-C4' energy: -35.611
flat angles C4'-P-C4' energy: -33.187
flat angles P-C4'-P energy: -15.065
tors. eta vs tors. theta energy: 4.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -186.643993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.643993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.643993 (E_RNA)
where:
Base-Base interactions energy: -59.252
where: short stacking energy: -55.960
Base-Backbone interact. energy: 1.102
local terms energy: -128.494295
where:
bonds (distance) C4'-P energy: -37.122
bonds (distance) P-C4' energy: -43.331
flat angles C4'-P-C4' energy: -38.883
flat angles P-C4'-P energy: -12.087
tors. eta vs tors. theta energy: 2.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -645.560263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.560263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.560263 (E_RNA)
where:
Base-Base interactions energy: -420.192
where: short stacking energy: -199.155
Base-Backbone interact. energy: -1.288
local terms energy: -224.080206
where:
bonds (distance) C4'-P energy: -40.244
bonds (distance) P-C4' energy: -39.176
flat angles C4'-P-C4' energy: -44.895
flat angles P-C4'-P energy: -35.264
tors. eta vs tors. theta energy: -64.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -604.042059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.042059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.042059 (E_RNA)
where:
Base-Base interactions energy: -394.403
where: short stacking energy: -185.713
Base-Backbone interact. energy: -0.196
local terms energy: -209.442675
where:
bonds (distance) C4'-P energy: -29.362
bonds (distance) P-C4' energy: -40.595
flat angles C4'-P-C4' energy: -46.609
flat angles P-C4'-P energy: -32.927
tors. eta vs tors. theta energy: -59.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -621.500352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.500352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.500352 (E_RNA)
where:
Base-Base interactions energy: -421.767
where: short stacking energy: -194.825
Base-Backbone interact. energy: -0.382
local terms energy: -199.351987
where:
bonds (distance) C4'-P energy: -34.848
bonds (distance) P-C4' energy: -37.323
flat angles C4'-P-C4' energy: -37.900
flat angles P-C4'-P energy: -29.616
tors. eta vs tors. theta energy: -59.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -614.262323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.262323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.262323 (E_RNA)
where:
Base-Base interactions energy: -406.940
where: short stacking energy: -174.161
Base-Backbone interact. energy: -0.650
local terms energy: -206.671526
where:
bonds (distance) C4'-P energy: -41.387
bonds (distance) P-C4' energy: -36.955
flat angles C4'-P-C4' energy: -39.502
flat angles P-C4'-P energy: -29.792
tors. eta vs tors. theta energy: -59.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -575.174541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.174541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.174541 (E_RNA)
where:
Base-Base interactions energy: -387.455
where: short stacking energy: -180.583
Base-Backbone interact. energy: -1.077
local terms energy: -186.642539
where:
bonds (distance) C4'-P energy: -37.408
bonds (distance) P-C4' energy: -31.310
flat angles C4'-P-C4' energy: -36.052
flat angles P-C4'-P energy: -29.671
tors. eta vs tors. theta energy: -52.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -529.756003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.756003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.756003 (E_RNA)
where:
Base-Base interactions energy: -347.755
where: short stacking energy: -165.340
Base-Backbone interact. energy: -0.239
local terms energy: -181.762407
where:
bonds (distance) C4'-P energy: -31.748
bonds (distance) P-C4' energy: -39.039
flat angles C4'-P-C4' energy: -35.361
flat angles P-C4'-P energy: -29.344
tors. eta vs tors. theta energy: -46.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -220.713159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.713159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.713159 (E_RNA)
where:
Base-Base interactions energy: -90.806
where: short stacking energy: -61.604
Base-Backbone interact. energy: -0.342
local terms energy: -129.564807
where:
bonds (distance) C4'-P energy: -37.963
bonds (distance) P-C4' energy: -34.205
flat angles C4'-P-C4' energy: -37.104
flat angles P-C4'-P energy: -12.417
tors. eta vs tors. theta energy: -7.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -201.288645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.288645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.288645 (E_RNA)
where:
Base-Base interactions energy: -80.904
where: short stacking energy: -68.002
Base-Backbone interact. energy: 0.152
local terms energy: -120.536675
where:
bonds (distance) C4'-P energy: -40.169
bonds (distance) P-C4' energy: -38.003
flat angles C4'-P-C4' energy: -33.673
flat angles P-C4'-P energy: -13.379
tors. eta vs tors. theta energy: 4.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -181.870293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.870293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.870293 (E_RNA)
where:
Base-Base interactions energy: -62.377
where: short stacking energy: -57.786
Base-Backbone interact. energy: -0.393
local terms energy: -119.099704
where:
bonds (distance) C4'-P energy: -30.992
bonds (distance) P-C4' energy: -33.931
flat angles C4'-P-C4' energy: -30.395
flat angles P-C4'-P energy: -24.401
tors. eta vs tors. theta energy: 0.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -180.306941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.306941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.306941 (E_RNA)
where:
Base-Base interactions energy: -61.587
where: short stacking energy: -59.599
Base-Backbone interact. energy: -1.220
local terms energy: -117.499084
where:
bonds (distance) C4'-P energy: -38.065
bonds (distance) P-C4' energy: -36.060
flat angles C4'-P-C4' energy: -29.614
flat angles P-C4'-P energy: -12.431
tors. eta vs tors. theta energy: -1.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -644.528003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.528003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.528003 (E_RNA)
where:
Base-Base interactions energy: -429.954
where: short stacking energy: -205.251
Base-Backbone interact. energy: -0.674
local terms energy: -213.900055
where:
bonds (distance) C4'-P energy: -35.021
bonds (distance) P-C4' energy: -46.316
flat angles C4'-P-C4' energy: -43.395
flat angles P-C4'-P energy: -27.546
tors. eta vs tors. theta energy: -61.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -618.885397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.885397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.885397 (E_RNA)
where:
Base-Base interactions energy: -401.033
where: short stacking energy: -200.453
Base-Backbone interact. energy: -0.145
local terms energy: -217.706707
where:
bonds (distance) C4'-P energy: -38.187
bonds (distance) P-C4' energy: -38.454
flat angles C4'-P-C4' energy: -44.376
flat angles P-C4'-P energy: -35.087
tors. eta vs tors. theta energy: -61.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -610.032318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.032318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.032318 (E_RNA)
where:
Base-Base interactions energy: -408.555
where: short stacking energy: -190.679
Base-Backbone interact. energy: -0.230
local terms energy: -201.247285
where:
bonds (distance) C4'-P energy: -42.494
bonds (distance) P-C4' energy: -39.206
flat angles C4'-P-C4' energy: -40.220
flat angles P-C4'-P energy: -22.315
tors. eta vs tors. theta energy: -57.012
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: 4, replica: 4
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -586.098306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.098306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.098306 (E_RNA)
where:
Base-Base interactions energy: -382.245
where: short stacking energy: -176.570
Base-Backbone interact. energy: -0.150
local terms energy: -203.704168
where:
bonds (distance) C4'-P energy: -34.802
bonds (distance) P-C4' energy: -43.438
flat angles C4'-P-C4' energy: -46.148
flat angles P-C4'-P energy: -24.258
tors. eta vs tors. theta energy: -55.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -547.965591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.965591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.965591 (E_RNA)
where:
Base-Base interactions energy: -371.989
where: short stacking energy: -160.575
Base-Backbone interact. energy: -0.957
local terms energy: -175.019758
where:
bonds (distance) C4'-P energy: -28.559
bonds (distance) P-C4' energy: -36.625
flat angles C4'-P-C4' energy: -40.451
flat angles P-C4'-P energy: -20.711
tors. eta vs tors. theta energy: -48.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -500.103822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.103822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.103822 (E_RNA)
where:
Base-Base interactions energy: -319.197
where: short stacking energy: -161.265
Base-Backbone interact. energy: 0.030
local terms energy: -180.936687
where:
bonds (distance) C4'-P energy: -29.069
bonds (distance) P-C4' energy: -33.159
flat angles C4'-P-C4' energy: -40.244
flat angles P-C4'-P energy: -28.287
tors. eta vs tors. theta energy: -50.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -230.919344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.919344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.919344 (E_RNA)
where:
Base-Base interactions energy: -86.524
where: short stacking energy: -63.157
Base-Backbone interact. energy: -0.095
local terms energy: -144.301082
where:
bonds (distance) C4'-P energy: -43.405
bonds (distance) P-C4' energy: -41.126
flat angles C4'-P-C4' energy: -40.288
flat angles P-C4'-P energy: -20.129
tors. eta vs tors. theta energy: 0.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -187.243131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.243131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.243131 (E_RNA)
where:
Base-Base interactions energy: -50.740
where: short stacking energy: -42.976
Base-Backbone interact. energy: 2.330
local terms energy: -138.833289
where:
bonds (distance) C4'-P energy: -39.682
bonds (distance) P-C4' energy: -44.741
flat angles C4'-P-C4' energy: -35.334
flat angles P-C4'-P energy: -25.636
tors. eta vs tors. theta energy: 6.559
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: 5
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -224.755557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.755557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.755557 (E_RNA)
where:
Base-Base interactions energy: -106.893
where: short stacking energy: -53.487
Base-Backbone interact. energy: -0.684
local terms energy: -117.177893
where:
bonds (distance) C4'-P energy: -33.754
bonds (distance) P-C4' energy: -31.725
flat angles C4'-P-C4' energy: -21.599
flat angles P-C4'-P energy: -27.402
tors. eta vs tors. theta energy: -2.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -177.244951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.244951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.244951 (E_RNA)
where:
Base-Base interactions energy: -55.534
where: short stacking energy: -48.478
Base-Backbone interact. energy: 0.665
local terms energy: -122.375961
where:
bonds (distance) C4'-P energy: -33.645
bonds (distance) P-C4' energy: -36.407
flat angles C4'-P-C4' energy: -28.671
flat angles P-C4'-P energy: -23.595
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: 9
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -632.619893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.619893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.619893 (E_RNA)
where:
Base-Base interactions energy: -427.263
where: short stacking energy: -208.511
Base-Backbone interact. energy: -0.805
local terms energy: -204.551898
where:
bonds (distance) C4'-P energy: -41.329
bonds (distance) P-C4' energy: -33.324
flat angles C4'-P-C4' energy: -40.339
flat angles P-C4'-P energy: -27.422
tors. eta vs tors. theta energy: -62.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -621.995910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.995910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.995910 (E_RNA)
where:
Base-Base interactions energy: -401.800
where: short stacking energy: -194.405
Base-Backbone interact. energy: -0.907
local terms energy: -219.288587
where:
bonds (distance) C4'-P energy: -36.651
bonds (distance) P-C4' energy: -39.717
flat angles C4'-P-C4' energy: -47.026
flat angles P-C4'-P energy: -31.201
tors. eta vs tors. theta energy: -64.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -615.303107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.303107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.303107 (E_RNA)
where:
Base-Base interactions energy: -410.549
where: short stacking energy: -180.453
Base-Backbone interact. energy: -0.138
local terms energy: -204.616253
where:
bonds (distance) C4'-P energy: -43.406
bonds (distance) P-C4' energy: -32.792
flat angles C4'-P-C4' energy: -44.681
flat angles P-C4'-P energy: -24.317
tors. eta vs tors. theta energy: -59.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -587.416784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.416784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.416784 (E_RNA)
where:
Base-Base interactions energy: -393.048
where: short stacking energy: -184.324
Base-Backbone interact. energy: -0.644
local terms energy: -193.724344
where:
bonds (distance) C4'-P energy: -31.061
bonds (distance) P-C4' energy: -37.498
flat angles C4'-P-C4' energy: -40.590
flat angles P-C4'-P energy: -29.382
tors. eta vs tors. theta energy: -55.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -530.791111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.791111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.791111 (E_RNA)
where:
Base-Base interactions energy: -346.005
where: short stacking energy: -165.401
Base-Backbone interact. energy: -0.444
local terms energy: -184.341681
where:
bonds (distance) C4'-P energy: -33.807
bonds (distance) P-C4' energy: -36.268
flat angles C4'-P-C4' energy: -33.671
flat angles P-C4'-P energy: -28.155
tors. eta vs tors. theta energy: -52.441
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: 7
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -531.581048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.581048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.581048 (E_RNA)
where:
Base-Base interactions energy: -348.482
where: short stacking energy: -165.113
Base-Backbone interact. energy: 0.388
local terms energy: -183.487229
where:
bonds (distance) C4'-P energy: -36.717
bonds (distance) P-C4' energy: -30.711
flat angles C4'-P-C4' energy: -41.039
flat angles P-C4'-P energy: -27.124
tors. eta vs tors. theta energy: -47.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -228.577988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.577988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.577988 (E_RNA)
where:
Base-Base interactions energy: -95.904
where: short stacking energy: -60.183
Base-Backbone interact. energy: -0.547
local terms energy: -132.126373
where:
bonds (distance) C4'-P energy: -30.739
bonds (distance) P-C4' energy: -43.926
flat angles C4'-P-C4' energy: -32.071
flat angles P-C4'-P energy: -21.166
tors. eta vs tors. theta energy: -4.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -195.901618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.901618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.901618 (E_RNA)
where:
Base-Base interactions energy: -78.148
where: short stacking energy: -64.959
Base-Backbone interact. energy: -0.830
local terms energy: -116.923039
where:
bonds (distance) C4'-P energy: -28.352
bonds (distance) P-C4' energy: -40.415
flat angles C4'-P-C4' energy: -31.144
flat angles P-C4'-P energy: -12.314
tors. eta vs tors. theta energy: -4.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -247.087137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.087137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.087137 (E_RNA)
where:
Base-Base interactions energy: -131.952
where: short stacking energy: -75.460
Base-Backbone interact. energy: -0.463
local terms energy: -114.672428
where:
bonds (distance) C4'-P energy: -29.564
bonds (distance) P-C4' energy: -35.552
flat angles C4'-P-C4' energy: -27.404
flat angles P-C4'-P energy: -19.380
tors. eta vs tors. theta energy: -2.773
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: 10
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -167.019681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.019681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.019681 (E_RNA)
where:
Base-Base interactions energy: -60.535
where: short stacking energy: -59.689
Base-Backbone interact. energy: 0.625
local terms energy: -107.109756
where:
bonds (distance) C4'-P energy: -29.382
bonds (distance) P-C4' energy: -35.617
flat angles C4'-P-C4' energy: -28.452
flat angles P-C4'-P energy: -15.921
tors. eta vs tors. theta energy: 2.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -626.966783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.966783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.966783 (E_RNA)
where:
Base-Base interactions energy: -407.066
where: short stacking energy: -189.387
Base-Backbone interact. energy: -0.077
local terms energy: -219.823921
where:
bonds (distance) C4'-P energy: -41.078
bonds (distance) P-C4' energy: -41.405
flat angles C4'-P-C4' energy: -45.440
flat angles P-C4'-P energy: -32.658
tors. eta vs tors. theta energy: -59.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -633.324490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.324490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.324490 (E_RNA)
where:
Base-Base interactions energy: -424.724
where: short stacking energy: -194.288
Base-Backbone interact. energy: -0.572
local terms energy: -208.028679
where:
bonds (distance) C4'-P energy: -44.412
bonds (distance) P-C4' energy: -32.061
flat angles C4'-P-C4' energy: -48.548
flat angles P-C4'-P energy: -24.914
tors. eta vs tors. theta energy: -58.093
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: 8
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -591.869435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.869435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.869435 (E_RNA)
where:
Base-Base interactions energy: -381.453
where: short stacking energy: -185.268
Base-Backbone interact. energy: -0.580
local terms energy: -209.836666
where:
bonds (distance) C4'-P energy: -38.825
bonds (distance) P-C4' energy: -39.506
flat angles C4'-P-C4' energy: -43.743
flat angles P-C4'-P energy: -35.309
tors. eta vs tors. theta energy: -52.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -604.323631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.323631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.323631 (E_RNA)
where:
Base-Base interactions energy: -400.584
where: short stacking energy: -190.133
Base-Backbone interact. energy: -0.157
local terms energy: -203.582048
where:
bonds (distance) C4'-P energy: -30.095
bonds (distance) P-C4' energy: -37.947
flat angles C4'-P-C4' energy: -40.659
flat angles P-C4'-P energy: -29.826
tors. eta vs tors. theta energy: -65.056
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: 2
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -496.885867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.885867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.885867 (E_RNA)
where:
Base-Base interactions energy: -321.777
where: short stacking energy: -139.220
Base-Backbone interact. energy: -0.669
local terms energy: -174.440022
where:
bonds (distance) C4'-P energy: -34.806
bonds (distance) P-C4' energy: -37.919
flat angles C4'-P-C4' energy: -30.538
flat angles P-C4'-P energy: -21.340
tors. eta vs tors. theta energy: -49.838
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: 6, replica: 7
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -520.743052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.743052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.743052 (E_RNA)
where:
Base-Base interactions energy: -333.474
where: short stacking energy: -147.982
Base-Backbone interact. energy: -1.236
local terms energy: -186.033260
where:
bonds (distance) C4'-P energy: -31.464
bonds (distance) P-C4' energy: -36.874
flat angles C4'-P-C4' energy: -42.466
flat angles P-C4'-P energy: -31.007
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: 7, replica: 3
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -217.890398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.890398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.890398 (E_RNA)
where:
Base-Base interactions energy: -91.144
where: short stacking energy: -82.564
Base-Backbone interact. energy: -0.765
local terms energy: -125.981324
where:
bonds (distance) C4'-P energy: -26.107
bonds (distance) P-C4' energy: -36.931
flat angles C4'-P-C4' energy: -26.885
flat angles P-C4'-P energy: -23.015
tors. eta vs tors. theta energy: -13.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -208.501175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.501175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.501175 (E_RNA)
where:
Base-Base interactions energy: -97.008
where: short stacking energy: -60.479
Base-Backbone interact. energy: 5.783
local terms energy: -117.276385
where:
bonds (distance) C4'-P energy: -34.478
bonds (distance) P-C4' energy: -38.985
flat angles C4'-P-C4' energy: -34.692
flat angles P-C4'-P energy: -10.045
tors. eta vs tors. theta energy: 0.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -209.084041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.084041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.084041 (E_RNA)
where:
Base-Base interactions energy: -82.556
where: short stacking energy: -67.523
Base-Backbone interact. energy: -0.296
local terms energy: -126.231128
where:
bonds (distance) C4'-P energy: -32.686
bonds (distance) P-C4' energy: -41.372
flat angles C4'-P-C4' energy: -24.573
flat angles P-C4'-P energy: -21.225
tors. eta vs tors. theta energy: -6.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -160.789448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.789448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.789448 (E_RNA)
where:
Base-Base interactions energy: -54.307
where: short stacking energy: -51.531
Base-Backbone interact. energy: -0.227
local terms energy: -106.254845
where:
bonds (distance) C4'-P energy: -36.429
bonds (distance) P-C4' energy: -35.666
flat angles C4'-P-C4' energy: -26.405
flat angles P-C4'-P energy: -15.058
tors. eta vs tors. theta energy: 7.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -646.018110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.018110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.018110 (E_RNA)
where:
Base-Base interactions energy: -430.243
where: short stacking energy: -202.039
Base-Backbone interact. energy: -1.058
local terms energy: -214.717074
where:
bonds (distance) C4'-P energy: -37.929
bonds (distance) P-C4' energy: -36.656
flat angles C4'-P-C4' energy: -45.532
flat angles P-C4'-P energy: -36.031
tors. eta vs tors. theta energy: -58.569
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: 2, replica: 6
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -626.514836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.514836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.514836 (E_RNA)
where:
Base-Base interactions energy: -418.223
where: short stacking energy: -184.047
Base-Backbone interact. energy: -1.139
local terms energy: -207.153728
where:
bonds (distance) C4'-P energy: -45.351
bonds (distance) P-C4' energy: -38.547
flat angles C4'-P-C4' energy: -42.386
flat angles P-C4'-P energy: -23.348
tors. eta vs tors. theta energy: -57.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -591.016548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.016548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.016548 (E_RNA)
where:
Base-Base interactions energy: -377.558
where: short stacking energy: -182.234
Base-Backbone interact. energy: -0.385
local terms energy: -213.072664
where:
bonds (distance) C4'-P energy: -38.439
bonds (distance) P-C4' energy: -41.263
flat angles C4'-P-C4' energy: -45.016
flat angles P-C4'-P energy: -34.695
tors. eta vs tors. theta energy: -53.661
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: 130
Temperature: 1.050000
Total energy: -575.129057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.129057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.129057 (E_RNA)
where:
Base-Base interactions energy: -373.377
where: short stacking energy: -166.812
Base-Backbone interact. energy: -0.471
local terms energy: -201.281008
where:
bonds (distance) C4'-P energy: -36.823
bonds (distance) P-C4' energy: -32.869
flat angles C4'-P-C4' energy: -43.355
flat angles P-C4'-P energy: -31.252
tors. eta vs tors. theta energy: -56.982
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: 7
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -525.802745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.802745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.802745 (E_RNA)
where:
Base-Base interactions energy: -330.572
where: short stacking energy: -150.689
Base-Backbone interact. energy: -0.302
local terms energy: -194.928781
where:
bonds (distance) C4'-P energy: -40.770
bonds (distance) P-C4' energy: -32.217
flat angles C4'-P-C4' energy: -44.257
flat angles P-C4'-P energy: -28.245
tors. eta vs tors. theta energy: -49.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -498.368264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.368264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.368264 (E_RNA)
where:
Base-Base interactions energy: -316.320
where: short stacking energy: -146.512
Base-Backbone interact. energy: -0.091
local terms energy: -181.956999
where:
bonds (distance) C4'-P energy: -29.930
bonds (distance) P-C4' energy: -37.964
flat angles C4'-P-C4' energy: -43.400
flat angles P-C4'-P energy: -24.081
tors. eta vs tors. theta energy: -46.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -218.213797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.213797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.213797 (E_RNA)
where:
Base-Base interactions energy: -101.770
where: short stacking energy: -73.774
Base-Backbone interact. energy: -0.457
local terms energy: -115.986140
where:
bonds (distance) C4'-P energy: -36.486
bonds (distance) P-C4' energy: -31.966
flat angles C4'-P-C4' energy: -33.400
flat angles P-C4'-P energy: -14.277
tors. eta vs tors. theta energy: 0.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -208.702533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.702533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.702533 (E_RNA)
where:
Base-Base interactions energy: -93.720
where: short stacking energy: -65.263
Base-Backbone interact. energy: -0.935
local terms energy: -114.047344
where:
bonds (distance) C4'-P energy: -28.412
bonds (distance) P-C4' energy: -24.385
flat angles C4'-P-C4' energy: -32.950
flat angles P-C4'-P energy: -15.755
tors. eta vs tors. theta energy: -12.545
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: 1
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -199.288576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.288576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.288576 (E_RNA)
where:
Base-Base interactions energy: -77.353
where: short stacking energy: -55.201
Base-Backbone interact. energy: -0.769
local terms energy: -121.167200
where:
bonds (distance) C4'-P energy: -18.980
bonds (distance) P-C4' energy: -45.109
flat angles C4'-P-C4' energy: -34.366
flat angles P-C4'-P energy: -21.520
tors. eta vs tors. theta energy: -1.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -175.331484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.331484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.331484 (E_RNA)
where:
Base-Base interactions energy: -51.326
where: short stacking energy: -47.079
Base-Backbone interact. energy: -0.985
local terms energy: -123.020131
where:
bonds (distance) C4'-P energy: -35.139
bonds (distance) P-C4' energy: -39.605
flat angles C4'-P-C4' energy: -33.944
flat angles P-C4'-P energy: -16.972
tors. eta vs tors. theta energy: 2.639
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: 9
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -661.938319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.938319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.938319 (E_RNA)
where:
Base-Base interactions energy: -438.026
where: short stacking energy: -190.725
Base-Backbone interact. energy: -2.727
local terms energy: -221.185557
where:
bonds (distance) C4'-P energy: -48.001
bonds (distance) P-C4' energy: -37.358
flat angles C4'-P-C4' energy: -45.467
flat angles P-C4'-P energy: -32.265
tors. eta vs tors. theta energy: -58.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -634.688479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.688479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.688479 (E_RNA)
where:
Base-Base interactions energy: -434.953
where: short stacking energy: -194.608
Base-Backbone interact. energy: 0.496
local terms energy: -200.231879
where:
bonds (distance) C4'-P energy: -35.609
bonds (distance) P-C4' energy: -45.679
flat angles C4'-P-C4' energy: -39.217
flat angles P-C4'-P energy: -25.977
tors. eta vs tors. theta energy: -53.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -614.000222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.000222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.000222 (E_RNA)
where:
Base-Base interactions energy: -397.530
where: short stacking energy: -188.971
Base-Backbone interact. energy: -0.268
local terms energy: -216.202948
where:
bonds (distance) C4'-P energy: -39.084
bonds (distance) P-C4' energy: -41.047
flat angles C4'-P-C4' energy: -41.367
flat angles P-C4'-P energy: -31.916
tors. eta vs tors. theta energy: -62.789
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: 7
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -557.796655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.796655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.796655 (E_RNA)
where:
Base-Base interactions energy: -360.781
where: short stacking energy: -177.364
Base-Backbone interact. energy: -0.346
local terms energy: -196.669392
where:
bonds (distance) C4'-P energy: -40.119
bonds (distance) P-C4' energy: -34.876
flat angles C4'-P-C4' energy: -41.251
flat angles P-C4'-P energy: -28.498
tors. eta vs tors. theta energy: -51.925
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: 8
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -565.447313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.447313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.447313 (E_RNA)
where:
Base-Base interactions energy: -370.020
where: short stacking energy: -171.110
Base-Backbone interact. energy: -1.196
local terms energy: -194.232032
where:
bonds (distance) C4'-P energy: -37.794
bonds (distance) P-C4' energy: -33.444
flat angles C4'-P-C4' energy: -42.269
flat angles P-C4'-P energy: -31.756
tors. eta vs tors. theta energy: -48.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -460.654084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.654084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.654084 (E_RNA)
where:
Base-Base interactions energy: -289.082
where: short stacking energy: -125.788
Base-Backbone interact. energy: 0.606
local terms energy: -172.177632
where:
bonds (distance) C4'-P energy: -36.008
bonds (distance) P-C4' energy: -39.671
flat angles C4'-P-C4' energy: -31.816
flat angles P-C4'-P energy: -22.761
tors. eta vs tors. theta energy: -41.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -211.368331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.368331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.368331 (E_RNA)
where:
Base-Base interactions energy: -77.054
where: short stacking energy: -77.054
Base-Backbone interact. energy: -0.643
local terms energy: -133.671716
where:
bonds (distance) C4'-P energy: -31.091
bonds (distance) P-C4' energy: -38.585
flat angles C4'-P-C4' energy: -25.403
flat angles P-C4'-P energy: -29.855
tors. eta vs tors. theta energy: -8.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -205.625584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.625584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.625584 (E_RNA)
where:
Base-Base interactions energy: -78.227
where: short stacking energy: -57.399
Base-Backbone interact. energy: -0.722
local terms energy: -126.677200
where:
bonds (distance) C4'-P energy: -36.371
bonds (distance) P-C4' energy: -33.983
flat angles C4'-P-C4' energy: -36.633
flat angles P-C4'-P energy: -21.899
tors. eta vs tors. theta energy: 2.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -194.550731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.550731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.550731 (E_RNA)
where:
Base-Base interactions energy: -76.659
where: short stacking energy: -59.308
Base-Backbone interact. energy: 2.242
local terms energy: -120.133417
where:
bonds (distance) C4'-P energy: -33.583
bonds (distance) P-C4' energy: -27.966
flat angles C4'-P-C4' energy: -37.399
flat angles P-C4'-P energy: -10.693
tors. eta vs tors. theta energy: -10.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -187.717714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.717714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.717714 (E_RNA)
where:
Base-Base interactions energy: -66.417
where: short stacking energy: -46.784
Base-Backbone interact. energy: -2.918
local terms energy: -118.382873
where:
bonds (distance) C4'-P energy: -26.353
bonds (distance) P-C4' energy: -38.755
flat angles C4'-P-C4' energy: -33.038
flat angles P-C4'-P energy: -23.397
tors. eta vs tors. theta energy: 3.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -630.142205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.142205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.142205 (E_RNA)
where:
Base-Base interactions energy: -424.527
where: short stacking energy: -193.784
Base-Backbone interact. energy: -1.590
local terms energy: -204.024879
where:
bonds (distance) C4'-P energy: -37.648
bonds (distance) P-C4' energy: -40.737
flat angles C4'-P-C4' energy: -40.605
flat angles P-C4'-P energy: -31.523
tors. eta vs tors. theta energy: -53.512
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: 6
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -645.274735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.274735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.274735 (E_RNA)
where:
Base-Base interactions energy: -436.469
where: short stacking energy: -196.624
Base-Backbone interact. energy: -0.769
local terms energy: -208.036505
where:
bonds (distance) C4'-P energy: -34.182
bonds (distance) P-C4' energy: -41.325
flat angles C4'-P-C4' energy: -41.203
flat angles P-C4'-P energy: -33.249
tors. eta vs tors. theta energy: -58.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -588.102753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.102753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.102753 (E_RNA)
where:
Base-Base interactions energy: -385.287
where: short stacking energy: -188.777
Base-Backbone interact. energy: -1.419
local terms energy: -201.397525
where:
bonds (distance) C4'-P energy: -40.068
bonds (distance) P-C4' energy: -35.072
flat angles C4'-P-C4' energy: -42.760
flat angles P-C4'-P energy: -24.435
tors. eta vs tors. theta energy: -59.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -595.661488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.661488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.661488 (E_RNA)
where:
Base-Base interactions energy: -388.897
where: short stacking energy: -179.351
Base-Backbone interact. energy: 0.022
local terms energy: -206.786536
where:
bonds (distance) C4'-P energy: -33.523
bonds (distance) P-C4' energy: -43.874
flat angles C4'-P-C4' energy: -40.344
flat angles P-C4'-P energy: -31.402
tors. eta vs tors. theta energy: -57.644
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: 8
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -551.876758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.876758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.876758 (E_RNA)
where:
Base-Base interactions energy: -369.653
where: short stacking energy: -173.706
Base-Backbone interact. energy: -1.117
local terms energy: -181.106872
where:
bonds (distance) C4'-P energy: -28.697
bonds (distance) P-C4' energy: -44.464
flat angles C4'-P-C4' energy: -40.485
flat angles P-C4'-P energy: -21.218
tors. eta vs tors. theta energy: -46.243
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: 6, replica: 2
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -440.909671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.909671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.909671 (E_RNA)
where:
Base-Base interactions energy: -268.097
where: short stacking energy: -109.349
Base-Backbone interact. energy: -0.119
local terms energy: -172.694141
where:
bonds (distance) C4'-P energy: -38.130
bonds (distance) P-C4' energy: -41.875
flat angles C4'-P-C4' energy: -38.234
flat angles P-C4'-P energy: -24.030
tors. eta vs tors. theta energy: -30.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -200.621387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.621387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.621387 (E_RNA)
where:
Base-Base interactions energy: -93.114
where: short stacking energy: -55.530
Base-Backbone interact. energy: -0.920
local terms energy: -106.587726
where:
bonds (distance) C4'-P energy: -31.509
bonds (distance) P-C4' energy: -34.597
flat angles C4'-P-C4' energy: -34.572
flat angles P-C4'-P energy: -14.853
tors. eta vs tors. theta energy: 8.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -192.040087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.040087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.040087 (E_RNA)
where:
Base-Base interactions energy: -63.697
where: short stacking energy: -53.679
Base-Backbone interact. energy: -0.949
local terms energy: -127.393489
where:
bonds (distance) C4'-P energy: -29.475
bonds (distance) P-C4' energy: -32.237
flat angles C4'-P-C4' energy: -30.494
flat angles P-C4'-P energy: -19.500
tors. eta vs tors. theta energy: -15.688
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: 10
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -173.948945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.948945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.948945 (E_RNA)
where:
Base-Base interactions energy: -64.525
where: short stacking energy: -46.289
Base-Backbone interact. energy: -3.262
local terms energy: -106.162145
where:
bonds (distance) C4'-P energy: -35.756
bonds (distance) P-C4' energy: -36.574
flat angles C4'-P-C4' energy: -26.664
flat angles P-C4'-P energy: -16.974
tors. eta vs tors. theta energy: 9.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -184.478049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.478049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.478049 (E_RNA)
where:
Base-Base interactions energy: -69.779
where: short stacking energy: -69.346
Base-Backbone interact. energy: -0.788
local terms energy: -113.910945
where:
bonds (distance) C4'-P energy: -31.526
bonds (distance) P-C4' energy: -24.736
flat angles C4'-P-C4' energy: -31.284
flat angles P-C4'-P energy: -24.599
tors. eta vs tors. theta energy: -1.766
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: 1, replica: 9
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -625.357155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.357155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.357155 (E_RNA)
where:
Base-Base interactions energy: -420.116
where: short stacking energy: -196.733
Base-Backbone interact. energy: -0.017
local terms energy: -205.224304
where:
bonds (distance) C4'-P energy: -38.702
bonds (distance) P-C4' energy: -39.479
flat angles C4'-P-C4' energy: -41.150
flat angles P-C4'-P energy: -29.186
tors. eta vs tors. theta energy: -56.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -650.892526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.892526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.892526 (E_RNA)
where:
Base-Base interactions energy: -427.935
where: short stacking energy: -196.871
Base-Backbone interact. energy: -0.744
local terms energy: -222.213524
where:
bonds (distance) C4'-P energy: -38.849
bonds (distance) P-C4' energy: -42.088
flat angles C4'-P-C4' energy: -37.696
flat angles P-C4'-P energy: -39.369
tors. eta vs tors. theta energy: -64.211
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: 4
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -597.004716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.004716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.004716 (E_RNA)
where:
Base-Base interactions energy: -382.034
where: short stacking energy: -182.097
Base-Backbone interact. energy: -1.540
local terms energy: -213.431154
where:
bonds (distance) C4'-P energy: -31.864
bonds (distance) P-C4' energy: -42.078
flat angles C4'-P-C4' energy: -46.887
flat angles P-C4'-P energy: -34.928
tors. eta vs tors. theta energy: -57.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -569.141651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.141651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.141651 (E_RNA)
where:
Base-Base interactions energy: -371.606
where: short stacking energy: -170.662
Base-Backbone interact. energy: -0.606
local terms energy: -196.928938
where:
bonds (distance) C4'-P energy: -32.462
bonds (distance) P-C4' energy: -46.158
flat angles C4'-P-C4' energy: -38.959
flat angles P-C4'-P energy: -28.150
tors. eta vs tors. theta energy: -51.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -559.584939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.584939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.584939 (E_RNA)
where:
Base-Base interactions energy: -360.145
where: short stacking energy: -167.423
Base-Backbone interact. energy: -0.128
local terms energy: -199.312155
where:
bonds (distance) C4'-P energy: -40.192
bonds (distance) P-C4' energy: -39.368
flat angles C4'-P-C4' energy: -37.837
flat angles P-C4'-P energy: -28.286
tors. eta vs tors. theta energy: -53.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -421.758611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.758611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.758611 (E_RNA)
where:
Base-Base interactions energy: -253.249
where: short stacking energy: -109.432
Base-Backbone interact. energy: -0.782
local terms energy: -167.727378
where:
bonds (distance) C4'-P energy: -39.532
bonds (distance) P-C4' energy: -31.724
flat angles C4'-P-C4' energy: -34.649
flat angles P-C4'-P energy: -30.743
tors. eta vs tors. theta energy: -31.080
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: 7, replica: 1
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -245.653527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.653527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.653527 (E_RNA)
where:
Base-Base interactions energy: -103.554
where: short stacking energy: -58.651
Base-Backbone interact. energy: -1.085
local terms energy: -141.014115
where:
bonds (distance) C4'-P energy: -38.177
bonds (distance) P-C4' energy: -33.901
flat angles C4'-P-C4' energy: -31.370
flat angles P-C4'-P energy: -27.483
tors. eta vs tors. theta energy: -10.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -210.257025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.257025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.257025 (E_RNA)
where:
Base-Base interactions energy: -79.430
where: short stacking energy: -75.030
Base-Backbone interact. energy: -0.670
local terms energy: -130.156512
where:
bonds (distance) C4'-P energy: -40.546
bonds (distance) P-C4' energy: -42.202
flat angles C4'-P-C4' energy: -27.988
flat angles P-C4'-P energy: -12.203
tors. eta vs tors. theta energy: -7.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -197.071093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.071093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.071093 (E_RNA)
where:
Base-Base interactions energy: -70.915
where: short stacking energy: -63.709
Base-Backbone interact. energy: -0.475
local terms energy: -125.680895
where:
bonds (distance) C4'-P energy: -33.244
bonds (distance) P-C4' energy: -39.598
flat angles C4'-P-C4' energy: -23.524
flat angles P-C4'-P energy: -24.363
tors. eta vs tors. theta energy: -4.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -177.148018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.148018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.148018 (E_RNA)
where:
Base-Base interactions energy: -66.810
where: short stacking energy: -57.045
Base-Backbone interact. energy: -0.790
local terms energy: -109.547996
where:
bonds (distance) C4'-P energy: -36.269
bonds (distance) P-C4' energy: -34.926
flat angles C4'-P-C4' energy: -25.729
flat angles P-C4'-P energy: -15.615
tors. eta vs tors. theta energy: 2.991
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: 6
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -661.506612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.506612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.506612 (E_RNA)
where:
Base-Base interactions energy: -441.053
where: short stacking energy: -215.194
Base-Backbone interact. energy: -0.342
local terms energy: -220.112197
where:
bonds (distance) C4'-P energy: -33.460
bonds (distance) P-C4' energy: -42.923
flat angles C4'-P-C4' energy: -47.110
flat angles P-C4'-P energy: -34.435
tors. eta vs tors. theta energy: -62.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -638.558818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.558818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.558818 (E_RNA)
where:
Base-Base interactions energy: -428.014
where: short stacking energy: -198.607
Base-Backbone interact. energy: -0.515
local terms energy: -210.029189
where:
bonds (distance) C4'-P energy: -36.440
bonds (distance) P-C4' energy: -45.537
flat angles C4'-P-C4' energy: -40.961
flat angles P-C4'-P energy: -28.221
tors. eta vs tors. theta energy: -58.870
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: 134
Temperature: 1.000000
Total energy: -590.339778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.339778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.339778 (E_RNA)
where:
Base-Base interactions energy: -399.629
where: short stacking energy: -175.745
Base-Backbone interact. energy: -0.205
local terms energy: -190.505672
where:
bonds (distance) C4'-P energy: -35.727
bonds (distance) P-C4' energy: -35.276
flat angles C4'-P-C4' energy: -44.684
flat angles P-C4'-P energy: -27.541
tors. eta vs tors. theta energy: -47.278
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: 8
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -566.541642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.541642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.541642 (E_RNA)
where:
Base-Base interactions energy: -362.833
where: short stacking energy: -164.724
Base-Backbone interact. energy: -1.032
local terms energy: -202.676641
where:
bonds (distance) C4'-P energy: -38.841
bonds (distance) P-C4' energy: -40.879
flat angles C4'-P-C4' energy: -40.702
flat angles P-C4'-P energy: -29.189
tors. eta vs tors. theta energy: -53.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -464.490004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.490004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.490004 (E_RNA)
where:
Base-Base interactions energy: -301.875
where: short stacking energy: -141.395
Base-Backbone interact. energy: -0.410
local terms energy: -162.204711
where:
bonds (distance) C4'-P energy: -35.212
bonds (distance) P-C4' energy: -34.255
flat angles C4'-P-C4' energy: -34.167
flat angles P-C4'-P energy: -21.596
tors. eta vs tors. theta energy: -36.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -529.206159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.206159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.206159 (E_RNA)
where:
Base-Base interactions energy: -341.152
where: short stacking energy: -155.491
Base-Backbone interact. energy: -1.720
local terms energy: -186.334402
where:
bonds (distance) C4'-P energy: -31.050
bonds (distance) P-C4' energy: -39.189
flat angles C4'-P-C4' energy: -40.709
flat angles P-C4'-P energy: -26.454
tors. eta vs tors. theta energy: -48.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -237.851256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.851256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.851256 (E_RNA)
where:
Base-Base interactions energy: -108.095
where: short stacking energy: -87.222
Base-Backbone interact. energy: 0.036
local terms energy: -129.791605
where:
bonds (distance) C4'-P energy: -40.102
bonds (distance) P-C4' energy: -35.938
flat angles C4'-P-C4' energy: -26.086
flat angles P-C4'-P energy: -21.419
tors. eta vs tors. theta energy: -6.246
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: 5
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -190.423659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.423659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.423659 (E_RNA)
where:
Base-Base interactions energy: -86.927
where: short stacking energy: -70.086
Base-Backbone interact. energy: -0.319
local terms energy: -103.178071
where:
bonds (distance) C4'-P energy: -33.037
bonds (distance) P-C4' energy: -29.332
flat angles C4'-P-C4' energy: -36.827
flat angles P-C4'-P energy: -2.843
tors. eta vs tors. theta energy: -1.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -224.667166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.667166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.667166 (E_RNA)
where:
Base-Base interactions energy: -92.081
where: short stacking energy: -57.484
Base-Backbone interact. energy: -0.859
local terms energy: -131.727382
where:
bonds (distance) C4'-P energy: -37.355
bonds (distance) P-C4' energy: -39.276
flat angles C4'-P-C4' energy: -32.986
flat angles P-C4'-P energy: -14.979
tors. eta vs tors. theta energy: -7.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -168.784702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.784702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.784702 (E_RNA)
where:
Base-Base interactions energy: -60.630
where: short stacking energy: -49.287
Base-Backbone interact. energy: -1.566
local terms energy: -106.589420
where:
bonds (distance) C4'-P energy: -18.828
bonds (distance) P-C4' energy: -26.892
flat angles C4'-P-C4' energy: -40.070
flat angles P-C4'-P energy: -21.383
tors. eta vs tors. theta energy: 0.583
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: 6
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -647.062368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.062368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.062368 (E_RNA)
where:
Base-Base interactions energy: -436.440
where: short stacking energy: -195.360
Base-Backbone interact. energy: 0.108
local terms energy: -210.731059
where:
bonds (distance) C4'-P energy: -43.987
bonds (distance) P-C4' energy: -38.064
flat angles C4'-P-C4' energy: -41.865
flat angles P-C4'-P energy: -32.777
tors. eta vs tors. theta energy: -54.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -638.250318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.250318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.250318 (E_RNA)
where:
Base-Base interactions energy: -412.005
where: short stacking energy: -190.959
Base-Backbone interact. energy: -3.963
local terms energy: -222.282924
where:
bonds (distance) C4'-P energy: -34.378
bonds (distance) P-C4' energy: -45.094
flat angles C4'-P-C4' energy: -49.903
flat angles P-C4'-P energy: -32.384
tors. eta vs tors. theta energy: -60.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -606.827921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.827921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.827921 (E_RNA)
where:
Base-Base interactions energy: -397.467
where: short stacking energy: -187.633
Base-Backbone interact. energy: -0.044
local terms energy: -209.316093
where:
bonds (distance) C4'-P energy: -40.745
bonds (distance) P-C4' energy: -46.210
flat angles C4'-P-C4' energy: -37.341
flat angles P-C4'-P energy: -31.900
tors. eta vs tors. theta energy: -53.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -568.772883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.772883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.772883 (E_RNA)
where:
Base-Base interactions energy: -373.614
where: short stacking energy: -184.280
Base-Backbone interact. energy: 2.622
local terms energy: -197.780697
where:
bonds (distance) C4'-P energy: -35.124
bonds (distance) P-C4' energy: -40.461
flat angles C4'-P-C4' energy: -40.224
flat angles P-C4'-P energy: -28.374
tors. eta vs tors. theta energy: -53.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -443.213909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.213909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.213909 (E_RNA)
where:
Base-Base interactions energy: -284.614
where: short stacking energy: -117.925
Base-Backbone interact. energy: -0.008
local terms energy: -158.591242
where:
bonds (distance) C4'-P energy: -40.078
bonds (distance) P-C4' energy: -36.990
flat angles C4'-P-C4' energy: -36.411
flat angles P-C4'-P energy: -20.790
tors. eta vs tors. theta energy: -24.322
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: 7
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -462.633182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.633182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.633182 (E_RNA)
where:
Base-Base interactions energy: -299.759
where: short stacking energy: -135.713
Base-Backbone interact. energy: -0.455
local terms energy: -162.419363
where:
bonds (distance) C4'-P energy: -37.037
bonds (distance) P-C4' energy: -36.974
flat angles C4'-P-C4' energy: -34.130
flat angles P-C4'-P energy: -15.943
tors. eta vs tors. theta energy: -38.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -216.048565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.048565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.048565 (E_RNA)
where:
Base-Base interactions energy: -71.564
where: short stacking energy: -61.728
Base-Backbone interact. energy: 0.627
local terms energy: -145.112219
where:
bonds (distance) C4'-P energy: -35.315
bonds (distance) P-C4' energy: -39.824
flat angles C4'-P-C4' energy: -39.226
flat angles P-C4'-P energy: -20.016
tors. eta vs tors. theta energy: -10.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -252.340911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.340911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.340911 (E_RNA)
where:
Base-Base interactions energy: -110.235
where: short stacking energy: -80.471
Base-Backbone interact. energy: -0.396
local terms energy: -141.710215
where:
bonds (distance) C4'-P energy: -30.384
bonds (distance) P-C4' energy: -39.755
flat angles C4'-P-C4' energy: -39.806
flat angles P-C4'-P energy: -20.761
tors. eta vs tors. theta energy: -11.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -170.396391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.396391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.396391 (E_RNA)
where:
Base-Base interactions energy: -62.604
where: short stacking energy: -48.987
Base-Backbone interact. energy: 0.890
local terms energy: -108.681712
where:
bonds (distance) C4'-P energy: -26.351
bonds (distance) P-C4' energy: -34.058
flat angles C4'-P-C4' energy: -31.913
flat angles P-C4'-P energy: -18.086
tors. eta vs tors. theta energy: 1.726
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: 10, replica: 10
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -165.518801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.518801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.518801 (E_RNA)
where:
Base-Base interactions energy: -53.745
where: short stacking energy: -35.722
Base-Backbone interact. energy: -0.792
local terms energy: -110.981415
where:
bonds (distance) C4'-P energy: -30.016
bonds (distance) P-C4' energy: -32.528
flat angles C4'-P-C4' energy: -32.818
flat angles P-C4'-P energy: -19.414
tors. eta vs tors. theta energy: 3.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -633.008096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.008096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.008096 (E_RNA)
where:
Base-Base interactions energy: -419.011
where: short stacking energy: -199.578
Base-Backbone interact. energy: -0.220
local terms energy: -213.777461
where:
bonds (distance) C4'-P energy: -34.854
bonds (distance) P-C4' energy: -43.688
flat angles C4'-P-C4' energy: -44.584
flat angles P-C4'-P energy: -33.638
tors. eta vs tors. theta energy: -57.014
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: 9
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -636.449942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.449942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.449942 (E_RNA)
where:
Base-Base interactions energy: -428.878
where: short stacking energy: -191.905
Base-Backbone interact. energy: -1.747
local terms energy: -205.824443
where:
bonds (distance) C4'-P energy: -37.524
bonds (distance) P-C4' energy: -44.532
flat angles C4'-P-C4' energy: -42.402
flat angles P-C4'-P energy: -25.853
tors. eta vs tors. theta energy: -55.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -620.847435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.847435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.847435 (E_RNA)
where:
Base-Base interactions energy: -401.499
where: short stacking energy: -189.175
Base-Backbone interact. energy: -0.134
local terms energy: -219.214048
where:
bonds (distance) C4'-P energy: -42.386
bonds (distance) P-C4' energy: -42.180
flat angles C4'-P-C4' energy: -49.434
flat angles P-C4'-P energy: -24.528
tors. eta vs tors. theta energy: -60.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -580.353677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.353677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.353677 (E_RNA)
where:
Base-Base interactions energy: -376.548
where: short stacking energy: -180.118
Base-Backbone interact. energy: -0.882
local terms energy: -202.923700
where:
bonds (distance) C4'-P energy: -36.519
bonds (distance) P-C4' energy: -40.452
flat angles C4'-P-C4' energy: -43.011
flat angles P-C4'-P energy: -28.356
tors. eta vs tors. theta energy: -54.585
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: 7
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -494.639098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.639098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.639098 (E_RNA)
where:
Base-Base interactions energy: -319.308
where: short stacking energy: -134.375
Base-Backbone interact. energy: -0.744
local terms energy: -174.587114
where:
bonds (distance) C4'-P energy: -42.335
bonds (distance) P-C4' energy: -34.310
flat angles C4'-P-C4' energy: -35.573
flat angles P-C4'-P energy: -32.196
tors. eta vs tors. theta energy: -30.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -457.173704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.173704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.173704 (E_RNA)
where:
Base-Base interactions energy: -291.107
where: short stacking energy: -120.453
Base-Backbone interact. energy: -3.571
local terms energy: -162.495764
where:
bonds (distance) C4'-P energy: -39.282
bonds (distance) P-C4' energy: -28.304
flat angles C4'-P-C4' energy: -38.078
flat angles P-C4'-P energy: -31.405
tors. eta vs tors. theta energy: -25.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -306.893749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.893749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.893749 (E_RNA)
where:
Base-Base interactions energy: -159.587
where: short stacking energy: -92.370
Base-Backbone interact. energy: -0.530
local terms energy: -146.776545
where:
bonds (distance) C4'-P energy: -40.796
bonds (distance) P-C4' energy: -31.345
flat angles C4'-P-C4' energy: -34.215
flat angles P-C4'-P energy: -17.085
tors. eta vs tors. theta energy: -23.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -208.231175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.231175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.231175 (E_RNA)
where:
Base-Base interactions energy: -77.833
where: short stacking energy: -73.427
Base-Backbone interact. energy: -0.418
local terms energy: -129.980140
where:
bonds (distance) C4'-P energy: -31.490
bonds (distance) P-C4' energy: -34.907
flat angles C4'-P-C4' energy: -36.383
flat angles P-C4'-P energy: -18.636
tors. eta vs tors. theta energy: -8.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -203.057555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.057555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.057555 (E_RNA)
where:
Base-Base interactions energy: -86.428
where: short stacking energy: -78.881
Base-Backbone interact. energy: -0.247
local terms energy: -116.383214
where:
bonds (distance) C4'-P energy: -34.711
bonds (distance) P-C4' energy: -28.147
flat angles C4'-P-C4' energy: -30.193
flat angles P-C4'-P energy: -15.170
tors. eta vs tors. theta energy: -8.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -189.187031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.187031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.187031 (E_RNA)
where:
Base-Base interactions energy: -67.575
where: short stacking energy: -55.631
Base-Backbone interact. energy: 0.048
local terms energy: -121.660714
where:
bonds (distance) C4'-P energy: -35.564
bonds (distance) P-C4' energy: -39.957
flat angles C4'-P-C4' energy: -25.713
flat angles P-C4'-P energy: -21.664
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: 1, replica: 6
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -645.440257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.440257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.440257 (E_RNA)
where:
Base-Base interactions energy: -419.898
where: short stacking energy: -196.571
Base-Backbone interact. energy: -0.944
local terms energy: -224.598525
where:
bonds (distance) C4'-P energy: -39.131
bonds (distance) P-C4' energy: -43.160
flat angles C4'-P-C4' energy: -43.441
flat angles P-C4'-P energy: -34.924
tors. eta vs tors. theta energy: -63.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -622.167693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.167693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.167693 (E_RNA)
where:
Base-Base interactions energy: -402.852
where: short stacking energy: -193.171
Base-Backbone interact. energy: -0.517
local terms energy: -218.798572
where:
bonds (distance) C4'-P energy: -40.071
bonds (distance) P-C4' energy: -40.661
flat angles C4'-P-C4' energy: -49.129
flat angles P-C4'-P energy: -31.189
tors. eta vs tors. theta energy: -57.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -614.407105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.407105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.407105 (E_RNA)
where:
Base-Base interactions energy: -409.425
where: short stacking energy: -194.506
Base-Backbone interact. energy: -0.160
local terms energy: -204.821313
where:
bonds (distance) C4'-P energy: -31.370
bonds (distance) P-C4' energy: -40.750
flat angles C4'-P-C4' energy: -46.679
flat angles P-C4'-P energy: -28.226
tors. eta vs tors. theta energy: -57.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -518.561208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.561208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.561208 (E_RNA)
where:
Base-Base interactions energy: -334.259
where: short stacking energy: -143.759
Base-Backbone interact. energy: -1.693
local terms energy: -182.609148
where:
bonds (distance) C4'-P energy: -32.760
bonds (distance) P-C4' energy: -35.286
flat angles C4'-P-C4' energy: -43.172
flat angles P-C4'-P energy: -29.446
tors. eta vs tors. theta energy: -41.945
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: 8
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -578.562235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.562235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.562235 (E_RNA)
where:
Base-Base interactions energy: -386.643
where: short stacking energy: -189.820
Base-Backbone interact. energy: -0.341
local terms energy: -191.578981
where:
bonds (distance) C4'-P energy: -37.008
bonds (distance) P-C4' energy: -31.805
flat angles C4'-P-C4' energy: -40.727
flat angles P-C4'-P energy: -22.271
tors. eta vs tors. theta energy: -59.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -502.299496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.299496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.299496 (E_RNA)
where:
Base-Base interactions energy: -330.903
where: short stacking energy: -133.440
Base-Backbone interact. energy: -0.985
local terms energy: -170.411182
where:
bonds (distance) C4'-P energy: -37.727
bonds (distance) P-C4' energy: -31.937
flat angles C4'-P-C4' energy: -44.877
flat angles P-C4'-P energy: -15.619
tors. eta vs tors. theta energy: -40.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -295.840047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.840047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.840047 (E_RNA)
where:
Base-Base interactions energy: -161.405
where: short stacking energy: -94.299
Base-Backbone interact. energy: -0.457
local terms energy: -133.977773
where:
bonds (distance) C4'-P energy: -33.720
bonds (distance) P-C4' energy: -33.636
flat angles C4'-P-C4' energy: -34.315
flat angles P-C4'-P energy: -18.095
tors. eta vs tors. theta energy: -14.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -205.377687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.377687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.377687 (E_RNA)
where:
Base-Base interactions energy: -85.547
where: short stacking energy: -69.700
Base-Backbone interact. energy: -0.603
local terms energy: -119.227362
where:
bonds (distance) C4'-P energy: -24.631
bonds (distance) P-C4' energy: -36.477
flat angles C4'-P-C4' energy: -30.885
flat angles P-C4'-P energy: -15.597
tors. eta vs tors. theta energy: -11.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -192.467733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.467733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.467733 (E_RNA)
where:
Base-Base interactions energy: -66.408
where: short stacking energy: -57.328
Base-Backbone interact. energy: -0.599
local terms energy: -125.461264
where:
bonds (distance) C4'-P energy: -37.130
bonds (distance) P-C4' energy: -32.798
flat angles C4'-P-C4' energy: -31.813
flat angles P-C4'-P energy: -19.533
tors. eta vs tors. theta energy: -4.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -169.754202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.754202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.754202 (E_RNA)
where:
Base-Base interactions energy: -61.097
where: short stacking energy: -48.768
Base-Backbone interact. energy: 1.111
local terms energy: -109.768842
where:
bonds (distance) C4'-P energy: -40.665
bonds (distance) P-C4' energy: -27.434
flat angles C4'-P-C4' energy: -28.413
flat angles P-C4'-P energy: -21.914
tors. eta vs tors. theta energy: 8.657
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: 6
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -645.655914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.655914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.655914 (E_RNA)
where:
Base-Base interactions energy: -430.023
where: short stacking energy: -212.655
Base-Backbone interact. energy: -0.442
local terms energy: -215.191014
where:
bonds (distance) C4'-P energy: -32.411
bonds (distance) P-C4' energy: -38.653
flat angles C4'-P-C4' energy: -48.113
flat angles P-C4'-P energy: -34.765
tors. eta vs tors. theta energy: -61.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -618.418963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.418963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.418963 (E_RNA)
where:
Base-Base interactions energy: -411.975
where: short stacking energy: -185.814
Base-Backbone interact. energy: -1.394
local terms energy: -205.050114
where:
bonds (distance) C4'-P energy: -32.578
bonds (distance) P-C4' energy: -35.637
flat angles C4'-P-C4' energy: -39.449
flat angles P-C4'-P energy: -34.504
tors. eta vs tors. theta energy: -62.883
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: 3, replica: 4
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -602.176388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.176388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.176388 (E_RNA)
where:
Base-Base interactions energy: -396.272
where: short stacking energy: -184.325
Base-Backbone interact. energy: -0.163
local terms energy: -205.741514
where:
bonds (distance) C4'-P energy: -33.727
bonds (distance) P-C4' energy: -42.124
flat angles C4'-P-C4' energy: -41.790
flat angles P-C4'-P energy: -34.790
tors. eta vs tors. theta energy: -53.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -542.821607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.821607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.821607 (E_RNA)
where:
Base-Base interactions energy: -357.525
where: short stacking energy: -154.537
Base-Backbone interact. energy: -0.265
local terms energy: -185.031071
where:
bonds (distance) C4'-P energy: -30.321
bonds (distance) P-C4' energy: -42.894
flat angles C4'-P-C4' energy: -43.910
flat angles P-C4'-P energy: -25.216
tors. eta vs tors. theta energy: -42.690
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: 138
Temperature: 1.100000
Total energy: -564.325066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.325066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.325066 (E_RNA)
where:
Base-Base interactions energy: -374.435
where: short stacking energy: -177.187
Base-Backbone interact. energy: -0.785
local terms energy: -189.105183
where:
bonds (distance) C4'-P energy: -29.554
bonds (distance) P-C4' energy: -41.878
flat angles C4'-P-C4' energy: -36.497
flat angles P-C4'-P energy: -26.071
tors. eta vs tors. theta energy: -55.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -525.873391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.873391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.873391 (E_RNA)
where:
Base-Base interactions energy: -351.087
where: short stacking energy: -150.653
Base-Backbone interact. energy: 1.187
local terms energy: -175.972931
where:
bonds (distance) C4'-P energy: -29.229
bonds (distance) P-C4' energy: -39.358
flat angles C4'-P-C4' energy: -41.928
flat angles P-C4'-P energy: -21.334
tors. eta vs tors. theta energy: -44.124
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: 5
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -345.065773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.065773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.065773 (E_RNA)
where:
Base-Base interactions energy: -181.325
where: short stacking energy: -91.490
Base-Backbone interact. energy: -0.844
local terms energy: -162.896125
where:
bonds (distance) C4'-P energy: -43.884
bonds (distance) P-C4' energy: -35.399
flat angles C4'-P-C4' energy: -41.921
flat angles P-C4'-P energy: -24.461
tors. eta vs tors. theta energy: -17.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -205.022861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.022861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.022861 (E_RNA)
where:
Base-Base interactions energy: -82.773
where: short stacking energy: -74.860
Base-Backbone interact. energy: 1.034
local terms energy: -123.283721
where:
bonds (distance) C4'-P energy: -43.626
bonds (distance) P-C4' energy: -33.670
flat angles C4'-P-C4' energy: -23.121
flat angles P-C4'-P energy: -11.184
tors. eta vs tors. theta energy: -11.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -180.414089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.414089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.414089 (E_RNA)
where:
Base-Base interactions energy: -40.142
where: short stacking energy: -37.586
Base-Backbone interact. energy: 1.054
local terms energy: -141.326721
where:
bonds (distance) C4'-P energy: -37.227
bonds (distance) P-C4' energy: -39.714
flat angles C4'-P-C4' energy: -37.314
flat angles P-C4'-P energy: -21.884
tors. eta vs tors. theta energy: -5.187
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: 138
Temperature: 1.350000
Total energy: -173.147986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.147986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.147986 (E_RNA)
where:
Base-Base interactions energy: -58.834
where: short stacking energy: -54.592
Base-Backbone interact. energy: -0.600
local terms energy: -113.714229
where:
bonds (distance) C4'-P energy: -25.010
bonds (distance) P-C4' energy: -38.603
flat angles C4'-P-C4' energy: -27.471
flat angles P-C4'-P energy: -17.751
tors. eta vs tors. theta energy: -4.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -625.605480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.605480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.605480 (E_RNA)
where:
Base-Base interactions energy: -413.426
where: short stacking energy: -205.334
Base-Backbone interact. energy: -0.319
local terms energy: -211.860508
where:
bonds (distance) C4'-P energy: -42.925
bonds (distance) P-C4' energy: -42.599
flat angles C4'-P-C4' energy: -41.069
flat angles P-C4'-P energy: -24.686
tors. eta vs tors. theta energy: -60.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -642.215898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.215898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.215898 (E_RNA)
where:
Base-Base interactions energy: -423.304
where: short stacking energy: -187.299
Base-Backbone interact. energy: 0.030
local terms energy: -218.941351
where:
bonds (distance) C4'-P energy: -39.773
bonds (distance) P-C4' energy: -39.518
flat angles C4'-P-C4' energy: -46.508
flat angles P-C4'-P energy: -31.173
tors. eta vs tors. theta energy: -61.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -595.758883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.758883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.758883 (E_RNA)
where:
Base-Base interactions energy: -395.103
where: short stacking energy: -187.672
Base-Backbone interact. energy: -0.078
local terms energy: -200.577521
where:
bonds (distance) C4'-P energy: -32.966
bonds (distance) P-C4' energy: -40.868
flat angles C4'-P-C4' energy: -43.334
flat angles P-C4'-P energy: -28.210
tors. eta vs tors. theta energy: -55.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -575.735044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.735044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.735044 (E_RNA)
where:
Base-Base interactions energy: -381.211
where: short stacking energy: -178.579
Base-Backbone interact. energy: -0.811
local terms energy: -193.713637
where:
bonds (distance) C4'-P energy: -31.413
bonds (distance) P-C4' energy: -37.556
flat angles C4'-P-C4' energy: -43.897
flat angles P-C4'-P energy: -28.595
tors. eta vs tors. theta energy: -52.253
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: 5, replica: 7
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -534.021483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.021483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.021483 (E_RNA)
where:
Base-Base interactions energy: -354.012
where: short stacking energy: -151.613
Base-Backbone interact. energy: -0.282
local terms energy: -179.727715
where:
bonds (distance) C4'-P energy: -35.081
bonds (distance) P-C4' energy: -31.489
flat angles C4'-P-C4' energy: -43.585
flat angles P-C4'-P energy: -24.802
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: 6, replica: 2
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -524.750764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.750764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.750764 (E_RNA)
where:
Base-Base interactions energy: -356.379
where: short stacking energy: -152.974
Base-Backbone interact. energy: 0.469
local terms energy: -168.840795
where:
bonds (distance) C4'-P energy: -32.321
bonds (distance) P-C4' energy: -29.276
flat angles C4'-P-C4' energy: -31.894
flat angles P-C4'-P energy: -26.765
tors. eta vs tors. theta energy: -48.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -367.268842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.268842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.268842 (E_RNA)
where:
Base-Base interactions energy: -218.174
where: short stacking energy: -118.141
Base-Backbone interact. energy: -0.393
local terms energy: -148.701368
where:
bonds (distance) C4'-P energy: -34.334
bonds (distance) P-C4' energy: -32.675
flat angles C4'-P-C4' energy: -33.436
flat angles P-C4'-P energy: -20.694
tors. eta vs tors. theta energy: -27.562
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: 8, replica: 10
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -177.718411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.718411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.718411 (E_RNA)
where:
Base-Base interactions energy: -60.829
where: short stacking energy: -48.352
Base-Backbone interact. energy: 0.478
local terms energy: -117.367698
where:
bonds (distance) C4'-P energy: -39.079
bonds (distance) P-C4' energy: -35.526
flat angles C4'-P-C4' energy: -31.872
flat angles P-C4'-P energy: -16.008
tors. eta vs tors. theta energy: 5.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -200.434096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.434096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.434096 (E_RNA)
where:
Base-Base interactions energy: -65.406
where: short stacking energy: -54.142
Base-Backbone interact. energy: -0.640
local terms energy: -134.388129
where:
bonds (distance) C4'-P energy: -44.438
bonds (distance) P-C4' energy: -46.959
flat angles C4'-P-C4' energy: -27.364
flat angles P-C4'-P energy: -11.248
tors. eta vs tors. theta energy: -4.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -165.545087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.545087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.545087 (E_RNA)
where:
Base-Base interactions energy: -64.687
where: short stacking energy: -55.080
Base-Backbone interact. energy: -0.869
local terms energy: -99.988416
where:
bonds (distance) C4'-P energy: -28.287
bonds (distance) P-C4' energy: -35.922
flat angles C4'-P-C4' energy: -32.192
flat angles P-C4'-P energy: -13.363
tors. eta vs tors. theta energy: 9.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -654.346828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.346828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.346828 (E_RNA)
where:
Base-Base interactions energy: -433.226
where: short stacking energy: -201.437
Base-Backbone interact. energy: -1.040
local terms energy: -220.081337
where:
bonds (distance) C4'-P energy: -38.974
bonds (distance) P-C4' energy: -44.540
flat angles C4'-P-C4' energy: -42.948
flat angles P-C4'-P energy: -29.486
tors. eta vs tors. theta energy: -64.133
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: 2, replica: 6
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -630.179828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.179828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.179828 (E_RNA)
where:
Base-Base interactions energy: -421.759
where: short stacking energy: -200.513
Base-Backbone interact. energy: -0.217
local terms energy: -208.204522
where:
bonds (distance) C4'-P energy: -39.957
bonds (distance) P-C4' energy: -35.747
flat angles C4'-P-C4' energy: -40.844
flat angles P-C4'-P energy: -26.506
tors. eta vs tors. theta energy: -65.150
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: 4
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -597.718162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.718162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.718162 (E_RNA)
where:
Base-Base interactions energy: -396.424
where: short stacking energy: -198.679
Base-Backbone interact. energy: -0.016
local terms energy: -201.277542
where:
bonds (distance) C4'-P energy: -32.105
bonds (distance) P-C4' energy: -30.710
flat angles C4'-P-C4' energy: -45.911
flat angles P-C4'-P energy: -30.108
tors. eta vs tors. theta energy: -62.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -582.747496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.747496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.747496 (E_RNA)
where:
Base-Base interactions energy: -382.410
where: short stacking energy: -177.594
Base-Backbone interact. energy: -1.469
local terms energy: -198.868979
where:
bonds (distance) C4'-P energy: -38.588
bonds (distance) P-C4' energy: -32.826
flat angles C4'-P-C4' energy: -39.825
flat angles P-C4'-P energy: -36.235
tors. eta vs tors. theta energy: -51.395
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: 7
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -537.129067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.129067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.129067 (E_RNA)
where:
Base-Base interactions energy: -353.898
where: short stacking energy: -156.294
Base-Backbone interact. energy: -0.376
local terms energy: -182.854579
where:
bonds (distance) C4'-P energy: -35.785
bonds (distance) P-C4' energy: -36.649
flat angles C4'-P-C4' energy: -37.481
flat angles P-C4'-P energy: -28.727
tors. eta vs tors. theta energy: -44.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -516.655684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.655684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.655684 (E_RNA)
where:
Base-Base interactions energy: -339.296
where: short stacking energy: -137.424
Base-Backbone interact. energy: 0.132
local terms energy: -177.491502
where:
bonds (distance) C4'-P energy: -36.282
bonds (distance) P-C4' energy: -39.263
flat angles C4'-P-C4' energy: -33.769
flat angles P-C4'-P energy: -26.237
tors. eta vs tors. theta energy: -41.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -374.454065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.454065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.454065 (E_RNA)
where:
Base-Base interactions energy: -228.663
where: short stacking energy: -97.168
Base-Backbone interact. energy: -0.645
local terms energy: -145.146225
where:
bonds (distance) C4'-P energy: -37.066
bonds (distance) P-C4' energy: -29.815
flat angles C4'-P-C4' energy: -28.154
flat angles P-C4'-P energy: -19.926
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: 8, replica: 10
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -192.859261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.859261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.859261 (E_RNA)
where:
Base-Base interactions energy: -70.050
where: short stacking energy: -59.709
Base-Backbone interact. energy: 3.757
local terms energy: -126.566163
where:
bonds (distance) C4'-P energy: -32.540
bonds (distance) P-C4' energy: -34.132
flat angles C4'-P-C4' energy: -39.272
flat angles P-C4'-P energy: -15.643
tors. eta vs tors. theta energy: -4.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -189.704621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.704621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.704621 (E_RNA)
where:
Base-Base interactions energy: -73.647
where: short stacking energy: -47.564
Base-Backbone interact. energy: -1.767
local terms energy: -114.291188
where:
bonds (distance) C4'-P energy: -30.831
bonds (distance) P-C4' energy: -33.555
flat angles C4'-P-C4' energy: -34.076
flat angles P-C4'-P energy: -12.802
tors. eta vs tors. theta energy: -3.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -175.631096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.631096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.631096 (E_RNA)
where:
Base-Base interactions energy: -57.202
where: short stacking energy: -48.423
Base-Backbone interact. energy: 1.006
local terms energy: -119.435378
where:
bonds (distance) C4'-P energy: -30.953
bonds (distance) P-C4' energy: -34.646
flat angles C4'-P-C4' energy: -30.222
flat angles P-C4'-P energy: -18.709
tors. eta vs tors. theta energy: -4.905
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: 9
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -648.391514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.391514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.391514 (E_RNA)
where:
Base-Base interactions energy: -430.880
where: short stacking energy: -184.842
Base-Backbone interact. energy: -1.860
local terms energy: -215.651185
where:
bonds (distance) C4'-P energy: -36.516
bonds (distance) P-C4' energy: -40.537
flat angles C4'-P-C4' energy: -48.368
flat angles P-C4'-P energy: -33.446
tors. eta vs tors. theta energy: -56.784
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: 2, replica: 4
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -614.780843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.780843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.780843 (E_RNA)
where:
Base-Base interactions energy: -393.486
where: short stacking energy: -187.868
Base-Backbone interact. energy: -1.171
local terms energy: -220.124079
where:
bonds (distance) C4'-P energy: -42.630
bonds (distance) P-C4' energy: -37.316
flat angles C4'-P-C4' energy: -48.723
flat angles P-C4'-P energy: -32.179
tors. eta vs tors. theta energy: -59.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -586.017866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.017866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.017866 (E_RNA)
where:
Base-Base interactions energy: -381.831
where: short stacking energy: -178.488
Base-Backbone interact. energy: -0.513
local terms energy: -203.673637
where:
bonds (distance) C4'-P energy: -42.462
bonds (distance) P-C4' energy: -36.367
flat angles C4'-P-C4' energy: -39.006
flat angles P-C4'-P energy: -30.362
tors. eta vs tors. theta energy: -55.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -533.396113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.396113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.396113 (E_RNA)
where:
Base-Base interactions energy: -338.203
where: short stacking energy: -175.400
Base-Backbone interact. energy: -0.098
local terms energy: -195.094957
where:
bonds (distance) C4'-P energy: -32.978
bonds (distance) P-C4' energy: -39.145
flat angles C4'-P-C4' energy: -50.018
flat angles P-C4'-P energy: -24.852
tors. eta vs tors. theta energy: -48.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -540.126402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.126402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.126402 (E_RNA)
where:
Base-Base interactions energy: -369.165
where: short stacking energy: -166.102
Base-Backbone interact. energy: 1.279
local terms energy: -172.240176
where:
bonds (distance) C4'-P energy: -35.359
bonds (distance) P-C4' energy: -33.012
flat angles C4'-P-C4' energy: -40.269
flat angles P-C4'-P energy: -19.161
tors. eta vs tors. theta energy: -44.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -557.182192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.182192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.182192 (E_RNA)
where:
Base-Base interactions energy: -371.777
where: short stacking energy: -158.643
Base-Backbone interact. energy: -0.194
local terms energy: -185.211749
where:
bonds (distance) C4'-P energy: -37.842
bonds (distance) P-C4' energy: -39.084
flat angles C4'-P-C4' energy: -38.450
flat angles P-C4'-P energy: -18.261
tors. eta vs tors. theta energy: -51.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -387.708937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.708937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.708937 (E_RNA)
where:
Base-Base interactions energy: -227.004
where: short stacking energy: -105.124
Base-Backbone interact. energy: -0.367
local terms energy: -160.337455
where:
bonds (distance) C4'-P energy: -32.414
bonds (distance) P-C4' energy: -37.105
flat angles C4'-P-C4' energy: -38.698
flat angles P-C4'-P energy: -19.916
tors. eta vs tors. theta energy: -32.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -219.609384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.609384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.609384 (E_RNA)
where:
Base-Base interactions energy: -90.524
where: short stacking energy: -62.407
Base-Backbone interact. energy: 1.002
local terms energy: -130.087189
where:
bonds (distance) C4'-P energy: -35.289
bonds (distance) P-C4' energy: -38.452
flat angles C4'-P-C4' energy: -36.413
flat angles P-C4'-P energy: -11.759
tors. eta vs tors. theta energy: -8.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -216.156251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.156251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.156251 (E_RNA)
where:
Base-Base interactions energy: -105.440
where: short stacking energy: -55.995
Base-Backbone interact. energy: 6.441
local terms energy: -117.157791
where:
bonds (distance) C4'-P energy: -33.486
bonds (distance) P-C4' energy: -34.147
flat angles C4'-P-C4' energy: -26.905
flat angles P-C4'-P energy: -22.801
tors. eta vs tors. theta energy: 0.181
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: 3
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -179.574512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.574512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.574512 (E_RNA)
where:
Base-Base interactions energy: -58.888
where: short stacking energy: -45.312
Base-Backbone interact. energy: 0.114
local terms energy: -120.800261
where:
bonds (distance) C4'-P energy: -31.105
bonds (distance) P-C4' energy: -36.196
flat angles C4'-P-C4' energy: -33.198
flat angles P-C4'-P energy: -23.330
tors. eta vs tors. theta energy: 3.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -655.423534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.423534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.423534 (E_RNA)
where:
Base-Base interactions energy: -436.899
where: short stacking energy: -194.798
Base-Backbone interact. energy: 0.165
local terms energy: -218.689144
where:
bonds (distance) C4'-P energy: -43.162
bonds (distance) P-C4' energy: -41.087
flat angles C4'-P-C4' energy: -40.970
flat angles P-C4'-P energy: -33.520
tors. eta vs tors. theta energy: -59.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -612.165583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.165583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.165583 (E_RNA)
where:
Base-Base interactions energy: -401.589
where: short stacking energy: -192.061
Base-Backbone interact. energy: -0.119
local terms energy: -210.458060
where:
bonds (distance) C4'-P energy: -38.266
bonds (distance) P-C4' energy: -35.222
flat angles C4'-P-C4' energy: -40.238
flat angles P-C4'-P energy: -33.401
tors. eta vs tors. theta energy: -63.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -596.874626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.874626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.874626 (E_RNA)
where:
Base-Base interactions energy: -403.775
where: short stacking energy: -183.466
Base-Backbone interact. energy: -0.062
local terms energy: -193.037173
where:
bonds (distance) C4'-P energy: -35.907
bonds (distance) P-C4' energy: -37.012
flat angles C4'-P-C4' energy: -42.910
flat angles P-C4'-P energy: -19.929
tors. eta vs tors. theta energy: -57.278
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: 7
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -549.500743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.500743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.500743 (E_RNA)
where:
Base-Base interactions energy: -367.559
where: short stacking energy: -154.840
Base-Backbone interact. energy: 0.591
local terms energy: -182.532451
where:
bonds (distance) C4'-P energy: -37.889
bonds (distance) P-C4' energy: -34.424
flat angles C4'-P-C4' energy: -37.716
flat angles P-C4'-P energy: -21.372
tors. eta vs tors. theta energy: -51.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -585.269140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.269140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.269140 (E_RNA)
where:
Base-Base interactions energy: -389.170
where: short stacking energy: -171.488
Base-Backbone interact. energy: -0.530
local terms energy: -195.569444
where:
bonds (distance) C4'-P energy: -43.035
bonds (distance) P-C4' energy: -42.009
flat angles C4'-P-C4' energy: -37.353
flat angles P-C4'-P energy: -24.865
tors. eta vs tors. theta energy: -48.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -530.474285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.474285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.474285 (E_RNA)
where:
Base-Base interactions energy: -349.088
where: short stacking energy: -170.251
Base-Backbone interact. energy: -1.593
local terms energy: -179.794159
where:
bonds (distance) C4'-P energy: -35.939
bonds (distance) P-C4' energy: -24.982
flat angles C4'-P-C4' energy: -43.984
flat angles P-C4'-P energy: -24.111
tors. eta vs tors. theta energy: -50.779
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: 5
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -315.862643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.862643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.862643 (E_RNA)
where:
Base-Base interactions energy: -169.192
where: short stacking energy: -92.664
Base-Backbone interact. energy: 1.510
local terms energy: -148.180439
where:
bonds (distance) C4'-P energy: -32.371
bonds (distance) P-C4' energy: -39.672
flat angles C4'-P-C4' energy: -33.916
flat angles P-C4'-P energy: -24.614
tors. eta vs tors. theta energy: -17.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -202.753383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.753383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.753383 (E_RNA)
where:
Base-Base interactions energy: -82.469
where: short stacking energy: -82.469
Base-Backbone interact. energy: 2.291
local terms energy: -122.574669
where:
bonds (distance) C4'-P energy: -36.704
bonds (distance) P-C4' energy: -32.976
flat angles C4'-P-C4' energy: -25.977
flat angles P-C4'-P energy: -24.195
tors. eta vs tors. theta energy: -2.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -185.167298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.167298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.167298 (E_RNA)
where:
Base-Base interactions energy: -61.781
where: short stacking energy: -58.166
Base-Backbone interact. energy: -1.964
local terms energy: -121.422016
where:
bonds (distance) C4'-P energy: -32.731
bonds (distance) P-C4' energy: -36.019
flat angles C4'-P-C4' energy: -31.879
flat angles P-C4'-P energy: -22.475
tors. eta vs tors. theta energy: 1.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -160.157534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.157534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.157534 (E_RNA)
where:
Base-Base interactions energy: -46.344
where: short stacking energy: -38.794
Base-Backbone interact. energy: -1.569
local terms energy: -112.244187
where:
bonds (distance) C4'-P energy: -40.065
bonds (distance) P-C4' energy: -28.811
flat angles C4'-P-C4' energy: -26.089
flat angles P-C4'-P energy: -21.291
tors. eta vs tors. theta energy: 4.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -663.039736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.039736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.039736 (E_RNA)
where:
Base-Base interactions energy: -442.753
where: short stacking energy: -199.298
Base-Backbone interact. energy: -2.287
local terms energy: -217.999611
where:
bonds (distance) C4'-P energy: -46.022
bonds (distance) P-C4' energy: -37.376
flat angles C4'-P-C4' energy: -47.239
flat angles P-C4'-P energy: -27.064
tors. eta vs tors. theta energy: -60.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -619.375188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.375188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.375188 (E_RNA)
where:
Base-Base interactions energy: -411.700
where: short stacking energy: -186.220
Base-Backbone interact. energy: 0.161
local terms energy: -207.836525
where:
bonds (distance) C4'-P energy: -32.945
bonds (distance) P-C4' energy: -42.568
flat angles C4'-P-C4' energy: -45.869
flat angles P-C4'-P energy: -29.793
tors. eta vs tors. theta energy: -56.661
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: 6
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -634.526993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.526993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.526993 (E_RNA)
where:
Base-Base interactions energy: -417.515
where: short stacking energy: -199.999
Base-Backbone interact. energy: 0.086
local terms energy: -217.097592
where:
bonds (distance) C4'-P energy: -38.487
bonds (distance) P-C4' energy: -35.601
flat angles C4'-P-C4' energy: -47.854
flat angles P-C4'-P energy: -31.293
tors. eta vs tors. theta energy: -63.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -589.675181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.675181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.675181 (E_RNA)
where:
Base-Base interactions energy: -389.701
where: short stacking energy: -162.409
Base-Backbone interact. energy: -0.486
local terms energy: -199.488178
where:
bonds (distance) C4'-P energy: -37.325
bonds (distance) P-C4' energy: -40.487
flat angles C4'-P-C4' energy: -43.029
flat angles P-C4'-P energy: -26.693
tors. eta vs tors. theta energy: -51.955
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: 7
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -548.768653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.768653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.768653 (E_RNA)
where:
Base-Base interactions energy: -374.595
where: short stacking energy: -172.136
Base-Backbone interact. energy: -0.641
local terms energy: -173.532285
where:
bonds (distance) C4'-P energy: -35.935
bonds (distance) P-C4' energy: -35.020
flat angles C4'-P-C4' energy: -31.911
flat angles P-C4'-P energy: -25.670
tors. eta vs tors. theta energy: -44.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -549.123526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.123526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.123526 (E_RNA)
where:
Base-Base interactions energy: -363.901
where: short stacking energy: -173.941
Base-Backbone interact. energy: -0.319
local terms energy: -184.903337
where:
bonds (distance) C4'-P energy: -32.462
bonds (distance) P-C4' energy: -34.833
flat angles C4'-P-C4' energy: -40.375
flat angles P-C4'-P energy: -28.938
tors. eta vs tors. theta energy: -48.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -273.163859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.163859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.163859 (E_RNA)
where:
Base-Base interactions energy: -142.635
where: short stacking energy: -86.061
Base-Backbone interact. energy: -0.509
local terms energy: -130.020039
where:
bonds (distance) C4'-P energy: -37.014
bonds (distance) P-C4' energy: -31.377
flat angles C4'-P-C4' energy: -34.885
flat angles P-C4'-P energy: -16.700
tors. eta vs tors. theta energy: -10.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -203.301244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.301244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.301244 (E_RNA)
where:
Base-Base interactions energy: -101.677
where: short stacking energy: -53.302
Base-Backbone interact. energy: -0.328
local terms energy: -101.296399
where:
bonds (distance) C4'-P energy: -31.630
bonds (distance) P-C4' energy: -38.635
flat angles C4'-P-C4' energy: -17.004
flat angles P-C4'-P energy: -14.457
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)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -179.145886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.145886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.145886 (E_RNA)
where:
Base-Base interactions energy: -66.871
where: short stacking energy: -57.980
Base-Backbone interact. energy: -0.950
local terms energy: -111.324562
where:
bonds (distance) C4'-P energy: -30.453
bonds (distance) P-C4' energy: -45.829
flat angles C4'-P-C4' energy: -30.328
flat angles P-C4'-P energy: -7.768
tors. eta vs tors. theta energy: 3.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -165.750121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.750121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.750121 (E_RNA)
where:
Base-Base interactions energy: -49.654
where: short stacking energy: -37.409
Base-Backbone interact. energy: 0.181
local terms energy: -116.277345
where:
bonds (distance) C4'-P energy: -33.032
bonds (distance) P-C4' energy: -40.772
flat angles C4'-P-C4' energy: -27.789
flat angles P-C4'-P energy: -17.024
tors. eta vs tors. theta energy: 2.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -661.208322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.208322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.208322 (E_RNA)
where:
Base-Base interactions energy: -437.534
where: short stacking energy: -207.590
Base-Backbone interact. energy: -1.433
local terms energy: -222.241331
where:
bonds (distance) C4'-P energy: -40.390
bonds (distance) P-C4' energy: -39.899
flat angles C4'-P-C4' energy: -42.723
flat angles P-C4'-P energy: -36.824
tors. eta vs tors. theta energy: -62.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -636.136188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.136188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.136188 (E_RNA)
where:
Base-Base interactions energy: -413.076
where: short stacking energy: -210.412
Base-Backbone interact. energy: -0.704
local terms energy: -222.355316
where:
bonds (distance) C4'-P energy: -33.400
bonds (distance) P-C4' energy: -42.474
flat angles C4'-P-C4' energy: -44.458
flat angles P-C4'-P energy: -36.537
tors. eta vs tors. theta energy: -65.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -618.425154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.425154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.425154 (E_RNA)
where:
Base-Base interactions energy: -405.465
where: short stacking energy: -179.137
Base-Backbone interact. energy: -0.316
local terms energy: -212.644429
where:
bonds (distance) C4'-P energy: -42.881
bonds (distance) P-C4' energy: -45.135
flat angles C4'-P-C4' energy: -44.552
flat angles P-C4'-P energy: -24.147
tors. eta vs tors. theta energy: -55.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -603.525985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.525985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.525985 (E_RNA)
where:
Base-Base interactions energy: -403.159
where: short stacking energy: -181.775
Base-Backbone interact. energy: -0.229
local terms energy: -200.138119
where:
bonds (distance) C4'-P energy: -30.183
bonds (distance) P-C4' energy: -42.622
flat angles C4'-P-C4' energy: -44.584
flat angles P-C4'-P energy: -25.253
tors. eta vs tors. theta energy: -57.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -567.456905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.456905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.456905 (E_RNA)
where:
Base-Base interactions energy: -374.817
where: short stacking energy: -177.170
Base-Backbone interact. energy: -0.784
local terms energy: -191.856273
where:
bonds (distance) C4'-P energy: -36.676
bonds (distance) P-C4' energy: -31.106
flat angles C4'-P-C4' energy: -42.236
flat angles P-C4'-P energy: -27.235
tors. eta vs tors. theta energy: -54.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -537.306194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.306194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.306194 (E_RNA)
where:
Base-Base interactions energy: -354.422
where: short stacking energy: -155.874
Base-Backbone interact. energy: -0.048
local terms energy: -182.835893
where:
bonds (distance) C4'-P energy: -28.179
bonds (distance) P-C4' energy: -38.701
flat angles C4'-P-C4' energy: -45.373
flat angles P-C4'-P energy: -21.369
tors. eta vs tors. theta energy: -49.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -243.251729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.251729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.251729 (E_RNA)
where:
Base-Base interactions energy: -119.654
where: short stacking energy: -77.880
Base-Backbone interact. energy: 0.939
local terms energy: -124.536873
where:
bonds (distance) C4'-P energy: -34.793
bonds (distance) P-C4' energy: -32.120
flat angles C4'-P-C4' energy: -26.552
flat angles P-C4'-P energy: -19.133
tors. eta vs tors. theta energy: -11.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -254.950277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.950277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.950277 (E_RNA)
where:
Base-Base interactions energy: -132.317
where: short stacking energy: -61.720
Base-Backbone interact. energy: -1.376
local terms energy: -121.257478
where:
bonds (distance) C4'-P energy: -31.945
bonds (distance) P-C4' energy: -38.875
flat angles C4'-P-C4' energy: -25.759
flat angles P-C4'-P energy: -22.374
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: 9, replica: 10
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -184.221152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.221152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.221152 (E_RNA)
where:
Base-Base interactions energy: -66.034
where: short stacking energy: -65.435
Base-Backbone interact. energy: 1.563
local terms energy: -119.750124
where:
bonds (distance) C4'-P energy: -38.634
bonds (distance) P-C4' energy: -29.912
flat angles C4'-P-C4' energy: -23.172
flat angles P-C4'-P energy: -21.100
tors. eta vs tors. theta energy: -6.932
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: 1
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -171.874188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.874188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.874188 (E_RNA)
where:
Base-Base interactions energy: -53.521
where: short stacking energy: -39.479
Base-Backbone interact. energy: -0.408
local terms energy: -117.945641
where:
bonds (distance) C4'-P energy: -38.503
bonds (distance) P-C4' energy: -27.894
flat angles C4'-P-C4' energy: -30.216
flat angles P-C4'-P energy: -27.685
tors. eta vs tors. theta energy: 6.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -655.505489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.505489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.505489 (E_RNA)
where:
Base-Base interactions energy: -435.564
where: short stacking energy: -197.992
Base-Backbone interact. energy: -3.925
local terms energy: -216.016519
where:
bonds (distance) C4'-P energy: -37.937
bonds (distance) P-C4' energy: -40.515
flat angles C4'-P-C4' energy: -47.623
flat angles P-C4'-P energy: -29.307
tors. eta vs tors. theta energy: -60.633
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: 4
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -654.471952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.471952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.471952 (E_RNA)
where:
Base-Base interactions energy: -443.425
where: short stacking energy: -192.585
Base-Backbone interact. energy: -0.275
local terms energy: -210.771925
where:
bonds (distance) C4'-P energy: -34.289
bonds (distance) P-C4' energy: -41.778
flat angles C4'-P-C4' energy: -44.002
flat angles P-C4'-P energy: -25.016
tors. eta vs tors. theta energy: -65.687
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: 2
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -638.215556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.215556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.215556 (E_RNA)
where:
Base-Base interactions energy: -431.372
where: short stacking energy: -197.049
Base-Backbone interact. energy: -0.657
local terms energy: -206.187263
where:
bonds (distance) C4'-P energy: -42.354
bonds (distance) P-C4' energy: -34.186
flat angles C4'-P-C4' energy: -43.938
flat angles P-C4'-P energy: -28.493
tors. eta vs tors. theta energy: -57.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -585.901044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.901044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.901044 (E_RNA)
where:
Base-Base interactions energy: -396.263
where: short stacking energy: -174.147
Base-Backbone interact. energy: -0.775
local terms energy: -188.863614
where:
bonds (distance) C4'-P energy: -36.958
bonds (distance) P-C4' energy: -30.269
flat angles C4'-P-C4' energy: -45.185
flat angles P-C4'-P energy: -25.611
tors. eta vs tors. theta energy: -50.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -567.780068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.780068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.780068 (E_RNA)
where:
Base-Base interactions energy: -375.703
where: short stacking energy: -159.885
Base-Backbone interact. energy: -0.666
local terms energy: -191.411194
where:
bonds (distance) C4'-P energy: -38.287
bonds (distance) P-C4' energy: -42.528
flat angles C4'-P-C4' energy: -42.891
flat angles P-C4'-P energy: -18.999
tors. eta vs tors. theta energy: -48.706
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: 7
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -539.584066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.584066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.584066 (E_RNA)
where:
Base-Base interactions energy: -342.436
where: short stacking energy: -161.121
Base-Backbone interact. energy: 1.225
local terms energy: -198.373271
where:
bonds (distance) C4'-P energy: -33.657
bonds (distance) P-C4' energy: -46.545
flat angles C4'-P-C4' energy: -38.319
flat angles P-C4'-P energy: -32.826
tors. eta vs tors. theta energy: -47.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -202.303017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.303017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.303017 (E_RNA)
where:
Base-Base interactions energy: -66.860
where: short stacking energy: -66.408
Base-Backbone interact. energy: -0.604
local terms energy: -134.839431
where:
bonds (distance) C4'-P energy: -25.279
bonds (distance) P-C4' energy: -32.102
flat angles C4'-P-C4' energy: -35.110
flat angles P-C4'-P energy: -22.385
tors. eta vs tors. theta energy: -19.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -230.174221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.174221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.174221 (E_RNA)
where:
Base-Base interactions energy: -107.850
where: short stacking energy: -56.573
Base-Backbone interact. energy: -0.538
local terms energy: -121.786633
where:
bonds (distance) C4'-P energy: -36.442
bonds (distance) P-C4' energy: -36.505
flat angles C4'-P-C4' energy: -38.460
flat angles P-C4'-P energy: -7.326
tors. eta vs tors. theta energy: -3.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -202.551689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.551689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.551689 (E_RNA)
where:
Base-Base interactions energy: -87.053
where: short stacking energy: -57.024
Base-Backbone interact. energy: -0.376
local terms energy: -115.123066
where:
bonds (distance) C4'-P energy: -30.532
bonds (distance) P-C4' energy: -34.413
flat angles C4'-P-C4' energy: -33.875
flat angles P-C4'-P energy: -8.915
tors. eta vs tors. theta energy: -7.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -151.911005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.911005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.911005 (E_RNA)
where:
Base-Base interactions energy: -45.587
where: short stacking energy: -36.359
Base-Backbone interact. energy: -0.659
local terms energy: -105.664651
where:
bonds (distance) C4'-P energy: -38.644
bonds (distance) P-C4' energy: -40.696
flat angles C4'-P-C4' energy: -24.801
flat angles P-C4'-P energy: -15.583
tors. eta vs tors. theta energy: 14.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -696.870111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.870111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.870111 (E_RNA)
where:
Base-Base interactions energy: -467.777
where: short stacking energy: -217.917
Base-Backbone interact. energy: -1.505
local terms energy: -227.588170
where:
bonds (distance) C4'-P energy: -44.851
bonds (distance) P-C4' energy: -39.897
flat angles C4'-P-C4' energy: -46.141
flat angles P-C4'-P energy: -33.253
tors. eta vs tors. theta energy: -63.446
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: 9
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -659.196059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.196059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.196059 (E_RNA)
where:
Base-Base interactions energy: -446.947
where: short stacking energy: -198.602
Base-Backbone interact. energy: -1.628
local terms energy: -210.621093
where:
bonds (distance) C4'-P energy: -41.203
bonds (distance) P-C4' energy: -36.525
flat angles C4'-P-C4' energy: -43.687
flat angles P-C4'-P energy: -25.630
tors. eta vs tors. theta energy: -63.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -633.113285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.113285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.113285 (E_RNA)
where:
Base-Base interactions energy: -413.266
where: short stacking energy: -183.688
Base-Backbone interact. energy: 0.042
local terms energy: -219.889967
where:
bonds (distance) C4'-P energy: -39.263
bonds (distance) P-C4' energy: -46.389
flat angles C4'-P-C4' energy: -42.642
flat angles P-C4'-P energy: -27.487
tors. eta vs tors. theta energy: -64.108
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: 6
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -582.351359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.351359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.351359 (E_RNA)
where:
Base-Base interactions energy: -383.774
where: short stacking energy: -170.971
Base-Backbone interact. energy: 0.432
local terms energy: -199.009322
where:
bonds (distance) C4'-P energy: -33.575
bonds (distance) P-C4' energy: -37.320
flat angles C4'-P-C4' energy: -43.795
flat angles P-C4'-P energy: -35.632
tors. eta vs tors. theta energy: -48.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -580.942579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.942579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.942579 (E_RNA)
where:
Base-Base interactions energy: -386.171
where: short stacking energy: -187.375
Base-Backbone interact. energy: -0.048
local terms energy: -194.723653
where:
bonds (distance) C4'-P energy: -30.911
bonds (distance) P-C4' energy: -36.364
flat angles C4'-P-C4' energy: -39.417
flat angles P-C4'-P energy: -29.086
tors. eta vs tors. theta energy: -58.945
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: 7
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -490.299301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.299301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.299301 (E_RNA)
where:
Base-Base interactions energy: -322.129
where: short stacking energy: -133.676
Base-Backbone interact. energy: 3.726
local terms energy: -171.896130
where:
bonds (distance) C4'-P energy: -31.368
bonds (distance) P-C4' energy: -32.834
flat angles C4'-P-C4' energy: -40.324
flat angles P-C4'-P energy: -26.796
tors. eta vs tors. theta energy: -40.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -205.695445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.695445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.695445 (E_RNA)
where:
Base-Base interactions energy: -79.328
where: short stacking energy: -52.700
Base-Backbone interact. energy: 0.335
local terms energy: -126.702622
where:
bonds (distance) C4'-P energy: -32.357
bonds (distance) P-C4' energy: -28.003
flat angles C4'-P-C4' energy: -41.088
flat angles P-C4'-P energy: -24.041
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: 8, replica: 5
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -204.406167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.406167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.406167 (E_RNA)
where:
Base-Base interactions energy: -75.758
where: short stacking energy: -65.887
Base-Backbone interact. energy: 1.930
local terms energy: -130.578654
where:
bonds (distance) C4'-P energy: -42.916
bonds (distance) P-C4' energy: -30.659
flat angles C4'-P-C4' energy: -27.088
flat angles P-C4'-P energy: -24.130
tors. eta vs tors. theta energy: -5.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -193.841903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.841903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.841903 (E_RNA)
where:
Base-Base interactions energy: -70.069
where: short stacking energy: -68.805
Base-Backbone interact. energy: -0.363
local terms energy: -123.409484
where:
bonds (distance) C4'-P energy: -28.843
bonds (distance) P-C4' energy: -23.969
flat angles C4'-P-C4' energy: -33.480
flat angles P-C4'-P energy: -22.672
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: 10, replica: 10
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -180.853629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.853629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.853629 (E_RNA)
where:
Base-Base interactions energy: -58.139
where: short stacking energy: -50.994
Base-Backbone interact. energy: 0.760
local terms energy: -123.474659
where:
bonds (distance) C4'-P energy: -35.661
bonds (distance) P-C4' energy: -38.199
flat angles C4'-P-C4' energy: -25.232
flat angles P-C4'-P energy: -26.874
tors. eta vs tors. theta energy: 2.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -677.521901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.521901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.521901 (E_RNA)
where:
Base-Base interactions energy: -450.881
where: short stacking energy: -210.260
Base-Backbone interact. energy: -0.827
local terms energy: -225.813837
where:
bonds (distance) C4'-P energy: -33.407
bonds (distance) P-C4' energy: -46.849
flat angles C4'-P-C4' energy: -48.270
flat angles P-C4'-P energy: -33.270
tors. eta vs tors. theta energy: -64.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -654.153734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.153734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.153734 (E_RNA)
where:
Base-Base interactions energy: -441.080
where: short stacking energy: -200.158
Base-Backbone interact. energy: 3.496
local terms energy: -216.570119
where:
bonds (distance) C4'-P energy: -35.334
bonds (distance) P-C4' energy: -40.232
flat angles C4'-P-C4' energy: -46.644
flat angles P-C4'-P energy: -29.979
tors. eta vs tors. theta energy: -64.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -652.105851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.105851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.105851 (E_RNA)
where:
Base-Base interactions energy: -428.264
where: short stacking energy: -192.383
Base-Backbone interact. energy: -2.566
local terms energy: -221.275577
where:
bonds (distance) C4'-P energy: -43.957
bonds (distance) P-C4' energy: -37.894
flat angles C4'-P-C4' energy: -44.128
flat angles P-C4'-P energy: -31.875
tors. eta vs tors. theta energy: -63.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -573.826345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.826345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.826345 (E_RNA)
where:
Base-Base interactions energy: -382.517
where: short stacking energy: -166.446
Base-Backbone interact. energy: -0.327
local terms energy: -190.981481
where:
bonds (distance) C4'-P energy: -30.275
bonds (distance) P-C4' energy: -35.630
flat angles C4'-P-C4' energy: -40.344
flat angles P-C4'-P energy: -33.596
tors. eta vs tors. theta energy: -51.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -571.934570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.934570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.934570 (E_RNA)
where:
Base-Base interactions energy: -377.290
where: short stacking energy: -179.468
Base-Backbone interact. energy: -0.216
local terms energy: -194.427934
where:
bonds (distance) C4'-P energy: -36.222
bonds (distance) P-C4' energy: -37.668
flat angles C4'-P-C4' energy: -42.361
flat angles P-C4'-P energy: -23.077
tors. eta vs tors. theta energy: -55.101
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: 6, replica: 7
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -517.252541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.252541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.252541 (E_RNA)
where:
Base-Base interactions energy: -334.972
where: short stacking energy: -157.026
Base-Backbone interact. energy: -0.139
local terms energy: -182.141361
where:
bonds (distance) C4'-P energy: -44.069
bonds (distance) P-C4' energy: -28.349
flat angles C4'-P-C4' energy: -33.931
flat angles P-C4'-P energy: -28.631
tors. eta vs tors. theta energy: -47.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -230.406054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.406054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.406054 (E_RNA)
where:
Base-Base interactions energy: -106.308
where: short stacking energy: -61.119
Base-Backbone interact. energy: -0.290
local terms energy: -123.807723
where:
bonds (distance) C4'-P energy: -36.194
bonds (distance) P-C4' energy: -38.416
flat angles C4'-P-C4' energy: -30.557
flat angles P-C4'-P energy: -15.654
tors. eta vs tors. theta energy: -2.986
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: 5
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -221.263595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.263595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.263595 (E_RNA)
where:
Base-Base interactions energy: -97.340
where: short stacking energy: -48.302
Base-Backbone interact. energy: -0.400
local terms energy: -123.523694
where:
bonds (distance) C4'-P energy: -34.909
bonds (distance) P-C4' energy: -41.173
flat angles C4'-P-C4' energy: -29.656
flat angles P-C4'-P energy: -13.845
tors. eta vs tors. theta energy: -3.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -191.361908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.361908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.361908 (E_RNA)
where:
Base-Base interactions energy: -60.823
where: short stacking energy: -51.626
Base-Backbone interact. energy: -0.608
local terms energy: -129.931675
where:
bonds (distance) C4'-P energy: -34.315
bonds (distance) P-C4' energy: -40.163
flat angles C4'-P-C4' energy: -34.344
flat angles P-C4'-P energy: -17.091
tors. eta vs tors. theta energy: -4.019
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: 10
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -180.897964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.897964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.897964 (E_RNA)
where:
Base-Base interactions energy: -61.036
where: short stacking energy: -47.133
Base-Backbone interact. energy: -0.081
local terms energy: -119.781182
where:
bonds (distance) C4'-P energy: -32.650
bonds (distance) P-C4' energy: -37.037
flat angles C4'-P-C4' energy: -33.008
flat angles P-C4'-P energy: -24.402
tors. eta vs tors. theta energy: 7.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -673.746003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.746003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.746003 (E_RNA)
where:
Base-Base interactions energy: -459.389
where: short stacking energy: -214.490
Base-Backbone interact. energy: 0.790
local terms energy: -215.147278
where:
bonds (distance) C4'-P energy: -41.595
bonds (distance) P-C4' energy: -36.999
flat angles C4'-P-C4' energy: -41.016
flat angles P-C4'-P energy: -32.986
tors. eta vs tors. theta energy: -62.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -666.086111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.086111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.086111 (E_RNA)
where:
Base-Base interactions energy: -457.942
where: short stacking energy: -203.907
Base-Backbone interact. energy: -0.447
local terms energy: -207.697065
where:
bonds (distance) C4'-P energy: -35.547
bonds (distance) P-C4' energy: -34.162
flat angles C4'-P-C4' energy: -39.028
flat angles P-C4'-P energy: -34.920
tors. eta vs tors. theta energy: -64.041
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: 6
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -581.219294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.219294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.219294 (E_RNA)
where:
Base-Base interactions energy: -386.939
where: short stacking energy: -171.245
Base-Backbone interact. energy: -0.402
local terms energy: -193.879254
where:
bonds (distance) C4'-P energy: -35.872
bonds (distance) P-C4' energy: -38.144
flat angles C4'-P-C4' energy: -37.803
flat angles P-C4'-P energy: -35.584
tors. eta vs tors. theta energy: -46.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -621.985279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.985279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.985279 (E_RNA)
where:
Base-Base interactions energy: -415.301
where: short stacking energy: -178.362
Base-Backbone interact. energy: -1.529
local terms energy: -205.155086
where:
bonds (distance) C4'-P energy: -31.762
bonds (distance) P-C4' energy: -39.597
flat angles C4'-P-C4' energy: -41.325
flat angles P-C4'-P energy: -28.145
tors. eta vs tors. theta energy: -64.326
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: 8
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -558.179347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.179347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.179347 (E_RNA)
where:
Base-Base interactions energy: -365.552
where: short stacking energy: -159.244
Base-Backbone interact. energy: -0.829
local terms energy: -191.797916
where:
bonds (distance) C4'-P energy: -36.557
bonds (distance) P-C4' energy: -34.661
flat angles C4'-P-C4' energy: -48.274
flat angles P-C4'-P energy: -21.464
tors. eta vs tors. theta energy: -50.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -538.054451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.054451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.054451 (E_RNA)
where:
Base-Base interactions energy: -353.520
where: short stacking energy: -156.586
Base-Backbone interact. energy: -0.870
local terms energy: -183.665223
where:
bonds (distance) C4'-P energy: -31.201
bonds (distance) P-C4' energy: -32.156
flat angles C4'-P-C4' energy: -40.356
flat angles P-C4'-P energy: -27.920
tors. eta vs tors. theta energy: -52.032
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: 5
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -213.190726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.190726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.190726 (E_RNA)
where:
Base-Base interactions energy: -96.194
where: short stacking energy: -70.828
Base-Backbone interact. energy: 0.283
local terms energy: -117.279241
where:
bonds (distance) C4'-P energy: -31.109
bonds (distance) P-C4' energy: -39.982
flat angles C4'-P-C4' energy: -22.806
flat angles P-C4'-P energy: -18.739
tors. eta vs tors. theta energy: -4.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -179.255704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.255704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.255704 (E_RNA)
where:
Base-Base interactions energy: -66.972
where: short stacking energy: -45.197
Base-Backbone interact. energy: -0.174
local terms energy: -112.109308
where:
bonds (distance) C4'-P energy: -35.475
bonds (distance) P-C4' energy: -38.088
flat angles C4'-P-C4' energy: -19.818
flat angles P-C4'-P energy: -13.291
tors. eta vs tors. theta energy: -5.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -187.305964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.305964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.305964 (E_RNA)
where:
Base-Base interactions energy: -83.036
where: short stacking energy: -44.883
Base-Backbone interact. energy: 1.171
local terms energy: -105.440818
where:
bonds (distance) C4'-P energy: -29.894
bonds (distance) P-C4' energy: -40.109
flat angles C4'-P-C4' energy: -27.529
flat angles P-C4'-P energy: -15.137
tors. eta vs tors. theta energy: 7.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -186.855230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.855230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.855230 (E_RNA)
where:
Base-Base interactions energy: -72.890
where: short stacking energy: -54.488
Base-Backbone interact. energy: -1.734
local terms energy: -112.231940
where:
bonds (distance) C4'-P energy: -26.242
bonds (distance) P-C4' energy: -29.496
flat angles C4'-P-C4' energy: -39.172
flat angles P-C4'-P energy: -20.646
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: 1, replica: 9
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -675.351468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.351468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.351468 (E_RNA)
where:
Base-Base interactions energy: -452.577
where: short stacking energy: -214.288
Base-Backbone interact. energy: 0.160
local terms energy: -222.934763
where:
bonds (distance) C4'-P energy: -45.775
bonds (distance) P-C4' energy: -43.074
flat angles C4'-P-C4' energy: -42.284
flat angles P-C4'-P energy: -27.411
tors. eta vs tors. theta energy: -64.392
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: 4
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -653.133809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.133809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.133809 (E_RNA)
where:
Base-Base interactions energy: -454.249
where: short stacking energy: -201.452
Base-Backbone interact. energy: -0.615
local terms energy: -198.269289
where:
bonds (distance) C4'-P energy: -24.393
bonds (distance) P-C4' energy: -40.305
flat angles C4'-P-C4' energy: -40.754
flat angles P-C4'-P energy: -28.393
tors. eta vs tors. theta energy: -64.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -581.603928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.603928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.603928 (E_RNA)
where:
Base-Base interactions energy: -386.731
where: short stacking energy: -184.414
Base-Backbone interact. energy: -0.326
local terms energy: -194.546320
where:
bonds (distance) C4'-P energy: -38.343
bonds (distance) P-C4' energy: -33.231
flat angles C4'-P-C4' energy: -39.956
flat angles P-C4'-P energy: -34.338
tors. eta vs tors. theta energy: -48.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -558.596791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.596791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.596791 (E_RNA)
where:
Base-Base interactions energy: -355.460
where: short stacking energy: -166.866
Base-Backbone interact. energy: -0.438
local terms energy: -202.699045
where:
bonds (distance) C4'-P energy: -39.237
bonds (distance) P-C4' energy: -35.156
flat angles C4'-P-C4' energy: -42.566
flat angles P-C4'-P energy: -33.162
tors. eta vs tors. theta energy: -52.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -595.300093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.300093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.300093 (E_RNA)
where:
Base-Base interactions energy: -400.697
where: short stacking energy: -180.339
Base-Backbone interact. energy: -0.374
local terms energy: -194.229729
where:
bonds (distance) C4'-P energy: -34.780
bonds (distance) P-C4' energy: -31.836
flat angles C4'-P-C4' energy: -41.054
flat angles P-C4'-P energy: -29.135
tors. eta vs tors. theta energy: -57.424
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: 6, replica: 7
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -508.948725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.948725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.948725 (E_RNA)
where:
Base-Base interactions energy: -323.600
where: short stacking energy: -137.649
Base-Backbone interact. energy: 1.175
local terms energy: -186.523614
where:
bonds (distance) C4'-P energy: -39.749
bonds (distance) P-C4' energy: -40.791
flat angles C4'-P-C4' energy: -38.457
flat angles P-C4'-P energy: -31.335
tors. eta vs tors. theta energy: -36.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -234.208842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.208842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.208842 (E_RNA)
where:
Base-Base interactions energy: -79.454
where: short stacking energy: -54.571
Base-Backbone interact. energy: 0.028
local terms energy: -154.782951
where:
bonds (distance) C4'-P energy: -39.914
bonds (distance) P-C4' energy: -41.352
flat angles C4'-P-C4' energy: -37.477
flat angles P-C4'-P energy: -26.572
tors. eta vs tors. theta energy: -9.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -224.328861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.328861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.328861 (E_RNA)
where:
Base-Base interactions energy: -97.167
where: short stacking energy: -59.409
Base-Backbone interact. energy: -2.875
local terms energy: -124.286539
where:
bonds (distance) C4'-P energy: -38.100
bonds (distance) P-C4' energy: -28.322
flat angles C4'-P-C4' energy: -29.423
flat angles P-C4'-P energy: -26.492
tors. eta vs tors. theta energy: -1.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -176.630336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.630336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.630336 (E_RNA)
where:
Base-Base interactions energy: -55.664
where: short stacking energy: -36.889
Base-Backbone interact. energy: 0.498
local terms energy: -121.463944
where:
bonds (distance) C4'-P energy: -39.015
bonds (distance) P-C4' energy: -35.478
flat angles C4'-P-C4' energy: -27.116
flat angles P-C4'-P energy: -27.628
tors. eta vs tors. theta energy: 7.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -168.999352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.999352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.999352 (E_RNA)
where:
Base-Base interactions energy: -56.437
where: short stacking energy: -49.902
Base-Backbone interact. energy: -0.742
local terms energy: -111.819628
where:
bonds (distance) C4'-P energy: -35.167
bonds (distance) P-C4' energy: -27.639
flat angles C4'-P-C4' energy: -32.011
flat angles P-C4'-P energy: -15.858
tors. eta vs tors. theta energy: -1.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -675.931437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.931437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.931437 (E_RNA)
where:
Base-Base interactions energy: -448.746
where: short stacking energy: -205.254
Base-Backbone interact. energy: -1.082
local terms energy: -226.103909
where:
bonds (distance) C4'-P energy: -43.612
bonds (distance) P-C4' energy: -37.536
flat angles C4'-P-C4' energy: -42.970
flat angles P-C4'-P energy: -33.560
tors. eta vs tors. theta energy: -68.426
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: 2, replica: 4
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -653.588786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.588786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.588786 (E_RNA)
where:
Base-Base interactions energy: -433.589
where: short stacking energy: -197.545
Base-Backbone interact. energy: -0.844
local terms energy: -219.155743
where:
bonds (distance) C4'-P energy: -33.185
bonds (distance) P-C4' energy: -43.058
flat angles C4'-P-C4' energy: -46.342
flat angles P-C4'-P energy: -32.861
tors. eta vs tors. theta energy: -63.709
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: 8
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -578.803494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.803494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.803494 (E_RNA)
where:
Base-Base interactions energy: -403.070
where: short stacking energy: -173.517
Base-Backbone interact. energy: 1.381
local terms energy: -177.114099
where:
bonds (distance) C4'-P energy: -25.361
bonds (distance) P-C4' energy: -37.803
flat angles C4'-P-C4' energy: -37.020
flat angles P-C4'-P energy: -27.601
tors. eta vs tors. theta energy: -49.328
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: 6
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -573.366752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.366752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.366752 (E_RNA)
where:
Base-Base interactions energy: -381.902
where: short stacking energy: -186.698
Base-Backbone interact. energy: -0.099
local terms energy: -191.365965
where:
bonds (distance) C4'-P energy: -39.443
bonds (distance) P-C4' energy: -35.043
flat angles C4'-P-C4' energy: -38.003
flat angles P-C4'-P energy: -24.070
tors. eta vs tors. theta energy: -54.807
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: 2
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -580.292066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.292066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.292066 (E_RNA)
where:
Base-Base interactions energy: -392.680
where: short stacking energy: -159.186
Base-Backbone interact. energy: 1.774
local terms energy: -189.385565
where:
bonds (distance) C4'-P energy: -26.583
bonds (distance) P-C4' energy: -35.957
flat angles C4'-P-C4' energy: -43.894
flat angles P-C4'-P energy: -29.493
tors. eta vs tors. theta energy: -53.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -488.279026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.279026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.279026 (E_RNA)
where:
Base-Base interactions energy: -314.624
where: short stacking energy: -140.459
Base-Backbone interact. energy: 0.228
local terms energy: -173.883355
where:
bonds (distance) C4'-P energy: -33.731
bonds (distance) P-C4' energy: -37.874
flat angles C4'-P-C4' energy: -41.828
flat angles P-C4'-P energy: -23.781
tors. eta vs tors. theta energy: -36.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -208.503115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.503115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.503115 (E_RNA)
where:
Base-Base interactions energy: -88.386
where: short stacking energy: -65.485
Base-Backbone interact. energy: -0.535
local terms energy: -119.582502
where:
bonds (distance) C4'-P energy: -35.637
bonds (distance) P-C4' energy: -30.211
flat angles C4'-P-C4' energy: -35.505
flat angles P-C4'-P energy: -17.655
tors. eta vs tors. theta energy: -0.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -197.527703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.527703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.527703 (E_RNA)
where:
Base-Base interactions energy: -83.185
where: short stacking energy: -57.637
Base-Backbone interact. energy: -0.112
local terms energy: -114.230474
where:
bonds (distance) C4'-P energy: -27.276
bonds (distance) P-C4' energy: -40.046
flat angles C4'-P-C4' energy: -34.512
flat angles P-C4'-P energy: -14.232
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: 9, replica: 1
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -181.964915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.964915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.964915 (E_RNA)
where:
Base-Base interactions energy: -69.868
where: short stacking energy: -44.088
Base-Backbone interact. energy: 3.895
local terms energy: -115.991869
where:
bonds (distance) C4'-P energy: -30.564
bonds (distance) P-C4' energy: -32.717
flat angles C4'-P-C4' energy: -34.978
flat angles P-C4'-P energy: -24.670
tors. eta vs tors. theta energy: 6.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -160.336531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.336531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.336531 (E_RNA)
where:
Base-Base interactions energy: -52.988
where: short stacking energy: -37.088
Base-Backbone interact. energy: -0.310
local terms energy: -107.038642
where:
bonds (distance) C4'-P energy: -30.551
bonds (distance) P-C4' energy: -33.513
flat angles C4'-P-C4' energy: -33.061
flat angles P-C4'-P energy: -21.810
tors. eta vs tors. theta energy: 11.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -666.311682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.311682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.311682 (E_RNA)
where:
Base-Base interactions energy: -440.070
where: short stacking energy: -203.895
Base-Backbone interact. energy: -1.790
local terms energy: -224.450930
where:
bonds (distance) C4'-P energy: -42.643
bonds (distance) P-C4' energy: -37.122
flat angles C4'-P-C4' energy: -46.832
flat angles P-C4'-P energy: -29.037
tors. eta vs tors. theta energy: -68.818
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: 4
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -660.110776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.110776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.110776 (E_RNA)
where:
Base-Base interactions energy: -449.550
where: short stacking energy: -190.765
Base-Backbone interact. energy: -0.580
local terms energy: -209.980321
where:
bonds (distance) C4'-P energy: -43.471
bonds (distance) P-C4' energy: -43.029
flat angles C4'-P-C4' energy: -38.098
flat angles P-C4'-P energy: -23.951
tors. eta vs tors. theta energy: -61.432
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: 8
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -599.849046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.849046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.849046 (E_RNA)
where:
Base-Base interactions energy: -392.410
where: short stacking energy: -188.795
Base-Backbone interact. energy: -0.184
local terms energy: -207.255887
where:
bonds (distance) C4'-P energy: -40.742
bonds (distance) P-C4' energy: -38.530
flat angles C4'-P-C4' energy: -39.849
flat angles P-C4'-P energy: -32.402
tors. eta vs tors. theta energy: -55.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -556.101362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.101362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.101362 (E_RNA)
where:
Base-Base interactions energy: -364.217
where: short stacking energy: -179.387
Base-Backbone interact. energy: -0.394
local terms energy: -191.491024
where:
bonds (distance) C4'-P energy: -38.648
bonds (distance) P-C4' energy: -40.960
flat angles C4'-P-C4' energy: -38.865
flat angles P-C4'-P energy: -20.433
tors. eta vs tors. theta energy: -52.585
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: 2
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -534.012660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.012660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.012660 (E_RNA)
where:
Base-Base interactions energy: -360.306
where: short stacking energy: -164.893
Base-Backbone interact. energy: -1.156
local terms energy: -172.550368
where:
bonds (distance) C4'-P energy: -34.479
bonds (distance) P-C4' energy: -32.893
flat angles C4'-P-C4' energy: -36.410
flat angles P-C4'-P energy: -25.516
tors. eta vs tors. theta energy: -43.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -481.564908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.564908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.564908 (E_RNA)
where:
Base-Base interactions energy: -303.604
where: short stacking energy: -132.862
Base-Backbone interact. energy: -1.734
local terms energy: -176.226748
where:
bonds (distance) C4'-P energy: -38.942
bonds (distance) P-C4' energy: -35.315
flat angles C4'-P-C4' energy: -38.455
flat angles P-C4'-P energy: -22.045
tors. eta vs tors. theta energy: -41.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -206.899652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.899652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.899652 (E_RNA)
where:
Base-Base interactions energy: -93.883
where: short stacking energy: -64.008
Base-Backbone interact. energy: 1.268
local terms energy: -114.284862
where:
bonds (distance) C4'-P energy: -29.677
bonds (distance) P-C4' energy: -38.193
flat angles C4'-P-C4' energy: -27.459
flat angles P-C4'-P energy: -19.092
tors. eta vs tors. theta energy: 0.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -186.163039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.163039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.163039 (E_RNA)
where:
Base-Base interactions energy: -62.473
where: short stacking energy: -56.075
Base-Backbone interact. energy: -0.192
local terms energy: -123.498719
where:
bonds (distance) C4'-P energy: -38.854
bonds (distance) P-C4' energy: -35.550
flat angles C4'-P-C4' energy: -24.165
flat angles P-C4'-P energy: -19.468
tors. eta vs tors. theta energy: -5.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -185.929042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.929042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.929042 (E_RNA)
where:
Base-Base interactions energy: -58.983
where: short stacking energy: -43.414
Base-Backbone interact. energy: 0.714
local terms energy: -127.660216
where:
bonds (distance) C4'-P energy: -38.388
bonds (distance) P-C4' energy: -41.204
flat angles C4'-P-C4' energy: -32.125
flat angles P-C4'-P energy: -21.814
tors. eta vs tors. theta energy: 5.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -161.032111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.032111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.032111 (E_RNA)
where:
Base-Base interactions energy: -50.251
where: short stacking energy: -47.027
Base-Backbone interact. energy: 0.411
local terms energy: -111.192813
where:
bonds (distance) C4'-P energy: -24.818
bonds (distance) P-C4' energy: -40.937
flat angles C4'-P-C4' energy: -33.394
flat angles P-C4'-P energy: -21.488
tors. eta vs tors. theta energy: 9.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -645.924152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.924152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.924152 (E_RNA)
where:
Base-Base interactions energy: -430.897
where: short stacking energy: -191.759
Base-Backbone interact. energy: -1.248
local terms energy: -213.778890
where:
bonds (distance) C4'-P energy: -33.821
bonds (distance) P-C4' energy: -41.560
flat angles C4'-P-C4' energy: -44.493
flat angles P-C4'-P energy: -30.003
tors. eta vs tors. theta energy: -63.903
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: 2, replica: 4
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -644.283661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.283661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.283661 (E_RNA)
where:
Base-Base interactions energy: -424.801
where: short stacking energy: -190.567
Base-Backbone interact. energy: -0.208
local terms energy: -219.274427
where:
bonds (distance) C4'-P energy: -43.144
bonds (distance) P-C4' energy: -35.680
flat angles C4'-P-C4' energy: -45.494
flat angles P-C4'-P energy: -32.782
tors. eta vs tors. theta energy: -62.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -570.509961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.509961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.509961 (E_RNA)
where:
Base-Base interactions energy: -369.475
where: short stacking energy: -183.914
Base-Backbone interact. energy: 1.244
local terms energy: -202.279155
where:
bonds (distance) C4'-P energy: -36.098
bonds (distance) P-C4' energy: -38.987
flat angles C4'-P-C4' energy: -42.056
flat angles P-C4'-P energy: -32.163
tors. eta vs tors. theta energy: -52.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -583.326118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.326118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.326118 (E_RNA)
where:
Base-Base interactions energy: -380.659
where: short stacking energy: -165.839
Base-Backbone interact. energy: -1.112
local terms energy: -201.555540
where:
bonds (distance) C4'-P energy: -39.176
bonds (distance) P-C4' energy: -37.311
flat angles C4'-P-C4' energy: -40.747
flat angles P-C4'-P energy: -31.418
tors. eta vs tors. theta energy: -52.903
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: 5, replica: 2
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -517.455034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.455034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.455034 (E_RNA)
where:
Base-Base interactions energy: -337.421
where: short stacking energy: -154.739
Base-Backbone interact. energy: 0.796
local terms energy: -180.829390
where:
bonds (distance) C4'-P energy: -26.261
bonds (distance) P-C4' energy: -39.581
flat angles C4'-P-C4' energy: -40.775
flat angles P-C4'-P energy: -26.390
tors. eta vs tors. theta energy: -47.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -484.516707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.516707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.516707 (E_RNA)
where:
Base-Base interactions energy: -312.731
where: short stacking energy: -159.791
Base-Backbone interact. energy: -0.718
local terms energy: -171.068553
where:
bonds (distance) C4'-P energy: -31.116
bonds (distance) P-C4' energy: -40.156
flat angles C4'-P-C4' energy: -35.858
flat angles P-C4'-P energy: -25.482
tors. eta vs tors. theta energy: -38.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -239.495138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.495138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.495138 (E_RNA)
where:
Base-Base interactions energy: -99.343
where: short stacking energy: -74.159
Base-Backbone interact. energy: -0.487
local terms energy: -139.664911
where:
bonds (distance) C4'-P energy: -31.632
bonds (distance) P-C4' energy: -40.044
flat angles C4'-P-C4' energy: -27.981
flat angles P-C4'-P energy: -25.804
tors. eta vs tors. theta energy: -14.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -200.396062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.396062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.396062 (E_RNA)
where:
Base-Base interactions energy: -64.344
where: short stacking energy: -54.249
Base-Backbone interact. energy: -0.350
local terms energy: -135.702816
where:
bonds (distance) C4'-P energy: -40.485
bonds (distance) P-C4' energy: -38.161
flat angles C4'-P-C4' energy: -33.202
flat angles P-C4'-P energy: -18.360
tors. eta vs tors. theta energy: -5.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -234.138681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.138681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.138681 (E_RNA)
where:
Base-Base interactions energy: -114.325
where: short stacking energy: -73.033
Base-Backbone interact. energy: 0.184
local terms energy: -119.997827
where:
bonds (distance) C4'-P energy: -22.829
bonds (distance) P-C4' energy: -32.387
flat angles C4'-P-C4' energy: -35.817
flat angles P-C4'-P energy: -19.180
tors. eta vs tors. theta energy: -9.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -169.864633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.864633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.864633 (E_RNA)
where:
Base-Base interactions energy: -83.338
where: short stacking energy: -60.531
Base-Backbone interact. energy: -0.887
local terms energy: -85.639230
where:
bonds (distance) C4'-P energy: -33.158
bonds (distance) P-C4' energy: -39.845
flat angles C4'-P-C4' energy: -16.616
flat angles P-C4'-P energy: -3.344
tors. eta vs tors. theta energy: 7.323
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: 9
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -638.007487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.007487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.007487 (E_RNA)
where:
Base-Base interactions energy: -422.716
where: short stacking energy: -186.004
Base-Backbone interact. energy: -1.161
local terms energy: -214.131260
where:
bonds (distance) C4'-P energy: -41.301
bonds (distance) P-C4' energy: -40.067
flat angles C4'-P-C4' energy: -40.955
flat angles P-C4'-P energy: -31.657
tors. eta vs tors. theta energy: -60.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -647.018361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.018361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.018361 (E_RNA)
where:
Base-Base interactions energy: -437.100
where: short stacking energy: -209.096
Base-Backbone interact. energy: -0.248
local terms energy: -209.670944
where:
bonds (distance) C4'-P energy: -39.052
bonds (distance) P-C4' energy: -34.485
flat angles C4'-P-C4' energy: -39.251
flat angles P-C4'-P energy: -28.847
tors. eta vs tors. theta energy: -68.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -583.409520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.409520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.409520 (E_RNA)
where:
Base-Base interactions energy: -373.105
where: short stacking energy: -184.535
Base-Backbone interact. energy: -0.358
local terms energy: -209.947131
where:
bonds (distance) C4'-P energy: -38.589
bonds (distance) P-C4' energy: -40.355
flat angles C4'-P-C4' energy: -43.015
flat angles P-C4'-P energy: -33.588
tors. eta vs tors. theta energy: -54.400
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: 153
Temperature: 1.050000
Total energy: -551.922235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.922235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.922235 (E_RNA)
where:
Base-Base interactions energy: -363.653
where: short stacking energy: -159.140
Base-Backbone interact. energy: -0.459
local terms energy: -187.811094
where:
bonds (distance) C4'-P energy: -37.616
bonds (distance) P-C4' energy: -42.392
flat angles C4'-P-C4' energy: -35.495
flat angles P-C4'-P energy: -25.036
tors. eta vs tors. theta energy: -47.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -555.673969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.673969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.673969 (E_RNA)
where:
Base-Base interactions energy: -364.897
where: short stacking energy: -180.949
Base-Backbone interact. energy: -0.180
local terms energy: -190.597249
where:
bonds (distance) C4'-P energy: -28.489
bonds (distance) P-C4' energy: -38.467
flat angles C4'-P-C4' energy: -39.732
flat angles P-C4'-P energy: -26.817
tors. eta vs tors. theta energy: -57.093
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: 7
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -477.168444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.168444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.168444 (E_RNA)
where:
Base-Base interactions energy: -305.577
where: short stacking energy: -140.611
Base-Backbone interact. energy: -0.920
local terms energy: -170.670957
where:
bonds (distance) C4'-P energy: -32.909
bonds (distance) P-C4' energy: -35.161
flat angles C4'-P-C4' energy: -36.884
flat angles P-C4'-P energy: -26.301
tors. eta vs tors. theta energy: -39.415
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: 5
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -254.567049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.567049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.567049 (E_RNA)
where:
Base-Base interactions energy: -115.723
where: short stacking energy: -66.159
Base-Backbone interact. energy: 0.303
local terms energy: -139.147291
where:
bonds (distance) C4'-P energy: -37.802
bonds (distance) P-C4' energy: -37.224
flat angles C4'-P-C4' energy: -42.476
flat angles P-C4'-P energy: -23.165
tors. eta vs tors. theta energy: 1.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -237.846519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.846519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.846519 (E_RNA)
where:
Base-Base interactions energy: -111.923
where: short stacking energy: -81.314
Base-Backbone interact. energy: -0.830
local terms energy: -125.093136
where:
bonds (distance) C4'-P energy: -29.923
bonds (distance) P-C4' energy: -35.293
flat angles C4'-P-C4' energy: -34.296
flat angles P-C4'-P energy: -21.621
tors. eta vs tors. theta energy: -3.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -201.788979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.788979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.788979 (E_RNA)
where:
Base-Base interactions energy: -85.229
where: short stacking energy: -67.686
Base-Backbone interact. energy: -0.376
local terms energy: -116.184010
where:
bonds (distance) C4'-P energy: -34.023
bonds (distance) P-C4' energy: -32.850
flat angles C4'-P-C4' energy: -34.066
flat angles P-C4'-P energy: -13.521
tors. eta vs tors. theta energy: -1.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -162.608114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.608114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.608114 (E_RNA)
where:
Base-Base interactions energy: -37.096
where: short stacking energy: -32.803
Base-Backbone interact. energy: -0.851
local terms energy: -124.661222
where:
bonds (distance) C4'-P energy: -37.899
bonds (distance) P-C4' energy: -36.477
flat angles C4'-P-C4' energy: -36.359
flat angles P-C4'-P energy: -24.414
tors. eta vs tors. theta energy: 10.487
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: 4
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -672.145919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.145919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.145919 (E_RNA)
where:
Base-Base interactions energy: -436.392
where: short stacking energy: -199.262
Base-Backbone interact. energy: -0.268
local terms energy: -235.485550
where:
bonds (distance) C4'-P energy: -39.528
bonds (distance) P-C4' energy: -47.742
flat angles C4'-P-C4' energy: -45.724
flat angles P-C4'-P energy: -34.597
tors. eta vs tors. theta energy: -67.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -637.315173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.315173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.315173 (E_RNA)
where:
Base-Base interactions energy: -417.310
where: short stacking energy: -201.700
Base-Backbone interact. energy: -1.798
local terms energy: -218.206601
where:
bonds (distance) C4'-P energy: -40.080
bonds (distance) P-C4' energy: -37.352
flat angles C4'-P-C4' energy: -41.802
flat angles P-C4'-P energy: -33.697
tors. eta vs tors. theta energy: -65.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -587.656179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.656179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.656179 (E_RNA)
where:
Base-Base interactions energy: -391.503
where: short stacking energy: -191.641
Base-Backbone interact. energy: 0.469
local terms energy: -196.621906
where:
bonds (distance) C4'-P energy: -30.680
bonds (distance) P-C4' energy: -39.920
flat angles C4'-P-C4' energy: -43.731
flat angles P-C4'-P energy: -30.066
tors. eta vs tors. theta energy: -52.224
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: 2
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -548.995991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.995991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.995991 (E_RNA)
where:
Base-Base interactions energy: -372.502
where: short stacking energy: -152.894
Base-Backbone interact. energy: 0.595
local terms energy: -177.089086
where:
bonds (distance) C4'-P energy: -31.027
bonds (distance) P-C4' energy: -36.451
flat angles C4'-P-C4' energy: -42.107
flat angles P-C4'-P energy: -30.793
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: 5, replica: 8
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -567.962897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.962897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.962897 (E_RNA)
where:
Base-Base interactions energy: -369.555
where: short stacking energy: -187.689
Base-Backbone interact. energy: -0.311
local terms energy: -198.096611
where:
bonds (distance) C4'-P energy: -35.137
bonds (distance) P-C4' energy: -34.621
flat angles C4'-P-C4' energy: -36.933
flat angles P-C4'-P energy: -31.793
tors. eta vs tors. theta energy: -59.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -527.347949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.347949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.347949 (E_RNA)
where:
Base-Base interactions energy: -350.760
where: short stacking energy: -159.520
Base-Backbone interact. energy: -0.782
local terms energy: -175.806806
where:
bonds (distance) C4'-P energy: -36.486
bonds (distance) P-C4' energy: -24.305
flat angles C4'-P-C4' energy: -39.772
flat angles P-C4'-P energy: -28.873
tors. eta vs tors. theta energy: -46.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -216.091886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.091886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.091886 (E_RNA)
where:
Base-Base interactions energy: -87.297
where: short stacking energy: -68.612
Base-Backbone interact. energy: -0.653
local terms energy: -128.142497
where:
bonds (distance) C4'-P energy: -29.143
bonds (distance) P-C4' energy: -43.836
flat angles C4'-P-C4' energy: -28.840
flat angles P-C4'-P energy: -20.155
tors. eta vs tors. theta energy: -6.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -222.208588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.208588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.208588 (E_RNA)
where:
Base-Base interactions energy: -98.492
where: short stacking energy: -54.940
Base-Backbone interact. energy: -0.479
local terms energy: -123.237196
where:
bonds (distance) C4'-P energy: -29.744
bonds (distance) P-C4' energy: -44.571
flat angles C4'-P-C4' energy: -29.411
flat angles P-C4'-P energy: -25.793
tors. eta vs tors. theta energy: 6.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -180.386570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.386570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.386570 (E_RNA)
where:
Base-Base interactions energy: -54.145
where: short stacking energy: -51.499
Base-Backbone interact. energy: 0.787
local terms energy: -127.027889
where:
bonds (distance) C4'-P energy: -37.282
bonds (distance) P-C4' energy: -40.729
flat angles C4'-P-C4' energy: -16.241
flat angles P-C4'-P energy: -31.106
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: 10, replica: 1
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -170.745644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.745644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.745644 (E_RNA)
where:
Base-Base interactions energy: -52.534
where: short stacking energy: -50.179
Base-Backbone interact. energy: -0.506
local terms energy: -117.705879
where:
bonds (distance) C4'-P energy: -37.750
bonds (distance) P-C4' energy: -32.882
flat angles C4'-P-C4' energy: -32.890
flat angles P-C4'-P energy: -14.149
tors. eta vs tors. theta energy: -0.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -677.576864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.576864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.576864 (E_RNA)
where:
Base-Base interactions energy: -443.815
where: short stacking energy: -206.823
Base-Backbone interact. energy: 0.996
local terms energy: -234.757785
where:
bonds (distance) C4'-P energy: -45.279
bonds (distance) P-C4' energy: -43.226
flat angles C4'-P-C4' energy: -46.977
flat angles P-C4'-P energy: -36.763
tors. eta vs tors. theta energy: -62.513
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: 6
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -610.163440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.163440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.163440 (E_RNA)
where:
Base-Base interactions energy: -416.024
where: short stacking energy: -183.672
Base-Backbone interact. energy: -0.049
local terms energy: -194.090802
where:
bonds (distance) C4'-P energy: -34.106
bonds (distance) P-C4' energy: -39.819
flat angles C4'-P-C4' energy: -42.013
flat angles P-C4'-P energy: -21.503
tors. eta vs tors. theta energy: -56.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -643.807480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.807480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.807480 (E_RNA)
where:
Base-Base interactions energy: -433.588
where: short stacking energy: -208.423
Base-Backbone interact. energy: -0.613
local terms energy: -209.606120
where:
bonds (distance) C4'-P energy: -34.351
bonds (distance) P-C4' energy: -38.748
flat angles C4'-P-C4' energy: -44.067
flat angles P-C4'-P energy: -27.355
tors. eta vs tors. theta energy: -65.085
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: 8
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -588.827878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.827878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.827878 (E_RNA)
where:
Base-Base interactions energy: -381.641
where: short stacking energy: -184.273
Base-Backbone interact. energy: -1.037
local terms energy: -206.149712
where:
bonds (distance) C4'-P energy: -42.630
bonds (distance) P-C4' energy: -34.383
flat angles C4'-P-C4' energy: -45.088
flat angles P-C4'-P energy: -26.579
tors. eta vs tors. theta energy: -57.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -535.487627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.487627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.487627 (E_RNA)
where:
Base-Base interactions energy: -359.233
where: short stacking energy: -152.264
Base-Backbone interact. energy: 1.230
local terms energy: -177.484682
where:
bonds (distance) C4'-P energy: -40.879
bonds (distance) P-C4' energy: -37.137
flat angles C4'-P-C4' energy: -36.288
flat angles P-C4'-P energy: -19.557
tors. eta vs tors. theta energy: -43.623
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: 7
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -530.331626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.331626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.331626 (E_RNA)
where:
Base-Base interactions energy: -343.354
where: short stacking energy: -159.301
Base-Backbone interact. energy: -1.214
local terms energy: -185.763328
where:
bonds (distance) C4'-P energy: -33.172
bonds (distance) P-C4' energy: -37.010
flat angles C4'-P-C4' energy: -40.966
flat angles P-C4'-P energy: -28.785
tors. eta vs tors. theta energy: -45.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -201.247949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.247949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.247949 (E_RNA)
where:
Base-Base interactions energy: -74.172
where: short stacking energy: -71.769
Base-Backbone interact. energy: -0.732
local terms energy: -126.344211
where:
bonds (distance) C4'-P energy: -34.788
bonds (distance) P-C4' energy: -28.618
flat angles C4'-P-C4' energy: -34.561
flat angles P-C4'-P energy: -22.604
tors. eta vs tors. theta energy: -5.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -230.853066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.853066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.853066 (E_RNA)
where:
Base-Base interactions energy: -89.147
where: short stacking energy: -73.878
Base-Backbone interact. energy: -0.398
local terms energy: -141.307275
where:
bonds (distance) C4'-P energy: -33.604
bonds (distance) P-C4' energy: -36.430
flat angles C4'-P-C4' energy: -36.444
flat angles P-C4'-P energy: -19.984
tors. eta vs tors. theta energy: -14.845
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: 10
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -182.469747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.469747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.469747 (E_RNA)
where:
Base-Base interactions energy: -61.297
where: short stacking energy: -49.106
Base-Backbone interact. energy: -1.325
local terms energy: -119.847738
where:
bonds (distance) C4'-P energy: -42.055
bonds (distance) P-C4' energy: -35.339
flat angles C4'-P-C4' energy: -22.087
flat angles P-C4'-P energy: -12.902
tors. eta vs tors. theta energy: -7.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -174.528185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.528185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.528185 (E_RNA)
where:
Base-Base interactions energy: -59.171
where: short stacking energy: -54.009
Base-Backbone interact. energy: -0.737
local terms energy: -114.619853
where:
bonds (distance) C4'-P energy: -35.438
bonds (distance) P-C4' energy: -39.627
flat angles C4'-P-C4' energy: -28.139
flat angles P-C4'-P energy: -19.468
tors. eta vs tors. theta energy: 8.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -679.838409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.838409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.838409 (E_RNA)
where:
Base-Base interactions energy: -448.723
where: short stacking energy: -206.142
Base-Backbone interact. energy: -1.583
local terms energy: -229.532554
where:
bonds (distance) C4'-P energy: -45.055
bonds (distance) P-C4' energy: -37.994
flat angles C4'-P-C4' energy: -46.554
flat angles P-C4'-P energy: -33.493
tors. eta vs tors. theta energy: -66.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -644.689348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.689348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.689348 (E_RNA)
where:
Base-Base interactions energy: -429.943
where: short stacking energy: -204.227
Base-Backbone interact. energy: -0.225
local terms energy: -214.520838
where:
bonds (distance) C4'-P energy: -40.817
bonds (distance) P-C4' energy: -40.033
flat angles C4'-P-C4' energy: -45.884
flat angles P-C4'-P energy: -27.283
tors. eta vs tors. theta energy: -60.504
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: 9
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -640.142517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.142517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.142517 (E_RNA)
where:
Base-Base interactions energy: -429.068
where: short stacking energy: -200.436
Base-Backbone interact. energy: -0.189
local terms energy: -210.885796
where:
bonds (distance) C4'-P energy: -36.922
bonds (distance) P-C4' energy: -43.093
flat angles C4'-P-C4' energy: -35.972
flat angles P-C4'-P energy: -28.433
tors. eta vs tors. theta energy: -66.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -575.810811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.810811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.810811 (E_RNA)
where:
Base-Base interactions energy: -373.490
where: short stacking energy: -182.016
Base-Backbone interact. energy: -0.133
local terms energy: -202.187789
where:
bonds (distance) C4'-P energy: -41.132
bonds (distance) P-C4' energy: -39.133
flat angles C4'-P-C4' energy: -40.588
flat angles P-C4'-P energy: -21.574
tors. eta vs tors. theta energy: -59.760
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: 5, replica: 2
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -526.363010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.363010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.363010 (E_RNA)
where:
Base-Base interactions energy: -350.794
where: short stacking energy: -142.848
Base-Backbone interact. energy: -0.403
local terms energy: -175.166365
where:
bonds (distance) C4'-P energy: -42.210
bonds (distance) P-C4' energy: -37.117
flat angles C4'-P-C4' energy: -30.506
flat angles P-C4'-P energy: -26.720
tors. eta vs tors. theta energy: -38.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -536.969348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.969348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.969348 (E_RNA)
where:
Base-Base interactions energy: -335.994
where: short stacking energy: -163.796
Base-Backbone interact. energy: 0.449
local terms energy: -201.423643
where:
bonds (distance) C4'-P energy: -42.115
bonds (distance) P-C4' energy: -34.808
flat angles C4'-P-C4' energy: -36.564
flat angles P-C4'-P energy: -30.978
tors. eta vs tors. theta energy: -56.958
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: 3
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -203.344260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.344260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.344260 (E_RNA)
where:
Base-Base interactions energy: -70.103
where: short stacking energy: -47.574
Base-Backbone interact. energy: -0.863
local terms energy: -132.378257
where:
bonds (distance) C4'-P energy: -31.112
bonds (distance) P-C4' energy: -41.360
flat angles C4'-P-C4' energy: -34.330
flat angles P-C4'-P energy: -22.596
tors. eta vs tors. theta energy: -2.980
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: 5
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -249.471833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.471833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.471833 (E_RNA)
where:
Base-Base interactions energy: -134.538
where: short stacking energy: -88.641
Base-Backbone interact. energy: 0.170
local terms energy: -115.104425
where:
bonds (distance) C4'-P energy: -33.382
bonds (distance) P-C4' energy: -29.586
flat angles C4'-P-C4' energy: -29.070
flat angles P-C4'-P energy: -12.318
tors. eta vs tors. theta energy: -10.749
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: 9, replica: 10
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -169.713927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.713927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.713927 (E_RNA)
where:
Base-Base interactions energy: -51.788
where: short stacking energy: -39.325
Base-Backbone interact. energy: 0.832
local terms energy: -118.757778
where:
bonds (distance) C4'-P energy: -39.167
bonds (distance) P-C4' energy: -36.401
flat angles C4'-P-C4' energy: -31.294
flat angles P-C4'-P energy: -22.149
tors. eta vs tors. theta energy: 10.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -168.280028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.280028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.280028 (E_RNA)
where:
Base-Base interactions energy: -50.319
where: short stacking energy: -44.626
Base-Backbone interact. energy: -0.784
local terms energy: -117.177422
where:
bonds (distance) C4'-P energy: -23.363
bonds (distance) P-C4' energy: -42.100
flat angles C4'-P-C4' energy: -18.891
flat angles P-C4'-P energy: -21.859
tors. eta vs tors. theta energy: -10.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -683.426808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.426808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.426808 (E_RNA)
where:
Base-Base interactions energy: -463.582
where: short stacking energy: -211.305
Base-Backbone interact. energy: 1.492
local terms energy: -221.336780
where:
bonds (distance) C4'-P energy: -44.973
bonds (distance) P-C4' energy: -34.627
flat angles C4'-P-C4' energy: -44.328
flat angles P-C4'-P energy: -32.621
tors. eta vs tors. theta energy: -64.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -652.307346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.307346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.307346 (E_RNA)
where:
Base-Base interactions energy: -437.953
where: short stacking energy: -187.301
Base-Backbone interact. energy: -0.741
local terms energy: -213.613346
where:
bonds (distance) C4'-P energy: -36.926
bonds (distance) P-C4' energy: -37.564
flat angles C4'-P-C4' energy: -47.024
flat angles P-C4'-P energy: -31.263
tors. eta vs tors. theta energy: -60.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -615.544492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.544492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.544492 (E_RNA)
where:
Base-Base interactions energy: -415.415
where: short stacking energy: -186.715
Base-Backbone interact. energy: -0.365
local terms energy: -199.765199
where:
bonds (distance) C4'-P energy: -36.592
bonds (distance) P-C4' energy: -32.385
flat angles C4'-P-C4' energy: -44.588
flat angles P-C4'-P energy: -29.099
tors. eta vs tors. theta energy: -57.101
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: 8
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -565.604822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.604822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.604822 (E_RNA)
where:
Base-Base interactions energy: -357.505
where: short stacking energy: -183.343
Base-Backbone interact. energy: -0.166
local terms energy: -207.934442
where:
bonds (distance) C4'-P energy: -40.599
bonds (distance) P-C4' energy: -39.232
flat angles C4'-P-C4' energy: -44.183
flat angles P-C4'-P energy: -28.879
tors. eta vs tors. theta energy: -55.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -526.908330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.908330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.908330 (E_RNA)
where:
Base-Base interactions energy: -352.998
where: short stacking energy: -154.088
Base-Backbone interact. energy: -2.308
local terms energy: -171.601729
where:
bonds (distance) C4'-P energy: -21.933
bonds (distance) P-C4' energy: -42.354
flat angles C4'-P-C4' energy: -44.417
flat angles P-C4'-P energy: -21.341
tors. eta vs tors. theta energy: -41.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -536.721577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.721577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.721577 (E_RNA)
where:
Base-Base interactions energy: -356.448
where: short stacking energy: -166.569
Base-Backbone interact. energy: -0.165
local terms energy: -180.109000
where:
bonds (distance) C4'-P energy: -40.242
bonds (distance) P-C4' energy: -36.602
flat angles C4'-P-C4' energy: -38.220
flat angles P-C4'-P energy: -21.905
tors. eta vs tors. theta energy: -43.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -204.053271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.053271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.053271 (E_RNA)
where:
Base-Base interactions energy: -70.226
where: short stacking energy: -69.005
Base-Backbone interact. energy: 0.504
local terms energy: -134.331395
where:
bonds (distance) C4'-P energy: -32.811
bonds (distance) P-C4' energy: -40.986
flat angles C4'-P-C4' energy: -37.666
flat angles P-C4'-P energy: -10.857
tors. eta vs tors. theta energy: -12.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -235.764818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.764818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.764818 (E_RNA)
where:
Base-Base interactions energy: -122.195
where: short stacking energy: -52.366
Base-Backbone interact. energy: -1.177
local terms energy: -112.392527
where:
bonds (distance) C4'-P energy: -33.828
bonds (distance) P-C4' energy: -35.404
flat angles C4'-P-C4' energy: -23.574
flat angles P-C4'-P energy: -13.459
tors. eta vs tors. theta energy: -6.128
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: 9, replica: 10
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -177.201561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.201561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.201561 (E_RNA)
where:
Base-Base interactions energy: -55.520
where: short stacking energy: -42.663
Base-Backbone interact. energy: 4.409
local terms energy: -126.090253
where:
bonds (distance) C4'-P energy: -39.948
bonds (distance) P-C4' energy: -39.084
flat angles C4'-P-C4' energy: -35.162
flat angles P-C4'-P energy: -15.621
tors. eta vs tors. theta energy: 3.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -172.603541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.603541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.603541 (E_RNA)
where:
Base-Base interactions energy: -57.441
where: short stacking energy: -57.441
Base-Backbone interact. energy: -0.770
local terms energy: -114.392924
where:
bonds (distance) C4'-P energy: -34.614
bonds (distance) P-C4' energy: -35.677
flat angles C4'-P-C4' energy: -13.731
flat angles P-C4'-P energy: -23.270
tors. eta vs tors. theta energy: -7.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -669.955101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.955101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.955101 (E_RNA)
where:
Base-Base interactions energy: -445.598
where: short stacking energy: -210.653
Base-Backbone interact. energy: -0.524
local terms energy: -223.832794
where:
bonds (distance) C4'-P energy: -47.254
bonds (distance) P-C4' energy: -39.324
flat angles C4'-P-C4' energy: -41.200
flat angles P-C4'-P energy: -29.719
tors. eta vs tors. theta energy: -66.336
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: 9
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -652.976705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.976705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.976705 (E_RNA)
where:
Base-Base interactions energy: -439.850
where: short stacking energy: -203.289
Base-Backbone interact. energy: -0.172
local terms energy: -212.955167
where:
bonds (distance) C4'-P energy: -40.874
bonds (distance) P-C4' energy: -43.189
flat angles C4'-P-C4' energy: -41.057
flat angles P-C4'-P energy: -27.180
tors. eta vs tors. theta energy: -60.656
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: 3, replica: 6
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -614.750701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.750701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.750701 (E_RNA)
where:
Base-Base interactions energy: -412.393
where: short stacking energy: -195.532
Base-Backbone interact. energy: 0.653
local terms energy: -203.010597
where:
bonds (distance) C4'-P energy: -37.868
bonds (distance) P-C4' energy: -34.308
flat angles C4'-P-C4' energy: -45.016
flat angles P-C4'-P energy: -27.159
tors. eta vs tors. theta energy: -58.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -575.135393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.135393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.135393 (E_RNA)
where:
Base-Base interactions energy: -381.469
where: short stacking energy: -187.263
Base-Backbone interact. energy: 0.219
local terms energy: -193.885331
where:
bonds (distance) C4'-P energy: -36.539
bonds (distance) P-C4' energy: -30.897
flat angles C4'-P-C4' energy: -43.317
flat angles P-C4'-P energy: -28.445
tors. eta vs tors. theta energy: -54.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -550.579339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.579339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.579339 (E_RNA)
where:
Base-Base interactions energy: -349.520
where: short stacking energy: -166.612
Base-Backbone interact. energy: -1.388
local terms energy: -199.671051
where:
bonds (distance) C4'-P energy: -35.624
bonds (distance) P-C4' energy: -41.503
flat angles C4'-P-C4' energy: -41.296
flat angles P-C4'-P energy: -29.183
tors. eta vs tors. theta energy: -52.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -539.858235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.858235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.858235 (E_RNA)
where:
Base-Base interactions energy: -353.388
where: short stacking energy: -158.143
Base-Backbone interact. energy: -0.130
local terms energy: -186.339615
where:
bonds (distance) C4'-P energy: -41.801
bonds (distance) P-C4' energy: -33.537
flat angles C4'-P-C4' energy: -37.134
flat angles P-C4'-P energy: -22.920
tors. eta vs tors. theta energy: -50.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -254.971478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.971478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.971478 (E_RNA)
where:
Base-Base interactions energy: -113.505
where: short stacking energy: -76.134
Base-Backbone interact. energy: -0.581
local terms energy: -140.885575
where:
bonds (distance) C4'-P energy: -37.008
bonds (distance) P-C4' energy: -36.392
flat angles C4'-P-C4' energy: -39.879
flat angles P-C4'-P energy: -25.383
tors. eta vs tors. theta energy: -2.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -197.938768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.938768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.938768 (E_RNA)
where:
Base-Base interactions energy: -76.917
where: short stacking energy: -57.166
Base-Backbone interact. energy: -0.332
local terms energy: -120.689999
where:
bonds (distance) C4'-P energy: -34.499
bonds (distance) P-C4' energy: -31.858
flat angles C4'-P-C4' energy: -32.485
flat angles P-C4'-P energy: -20.153
tors. eta vs tors. theta energy: -1.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -188.571818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.571818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.571818 (E_RNA)
where:
Base-Base interactions energy: -65.508
where: short stacking energy: -40.404
Base-Backbone interact. energy: -0.736
local terms energy: -122.327935
where:
bonds (distance) C4'-P energy: -36.609
bonds (distance) P-C4' energy: -35.721
flat angles C4'-P-C4' energy: -34.314
flat angles P-C4'-P energy: -15.799
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: 1
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -173.112153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.112153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.112153 (E_RNA)
where:
Base-Base interactions energy: -54.537
where: short stacking energy: -45.832
Base-Backbone interact. energy: -0.136
local terms energy: -118.439066
where:
bonds (distance) C4'-P energy: -30.701
bonds (distance) P-C4' energy: -31.222
flat angles C4'-P-C4' energy: -32.619
flat angles P-C4'-P energy: -15.595
tors. eta vs tors. theta energy: -8.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -664.437458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.437458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.437458 (E_RNA)
where:
Base-Base interactions energy: -433.846
where: short stacking energy: -197.257
Base-Backbone interact. energy: -0.427
local terms energy: -230.163741
where:
bonds (distance) C4'-P energy: -39.454
bonds (distance) P-C4' energy: -44.438
flat angles C4'-P-C4' energy: -44.512
flat angles P-C4'-P energy: -36.324
tors. eta vs tors. theta energy: -65.436
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: 2, replica: 9
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -654.207198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.207198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.207198 (E_RNA)
where:
Base-Base interactions energy: -436.625
where: short stacking energy: -200.285
Base-Backbone interact. energy: -0.625
local terms energy: -216.957055
where:
bonds (distance) C4'-P energy: -35.396
bonds (distance) P-C4' energy: -44.577
flat angles C4'-P-C4' energy: -40.568
flat angles P-C4'-P energy: -35.100
tors. eta vs tors. theta energy: -61.317
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: 6
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -608.377337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.377337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.377337 (E_RNA)
where:
Base-Base interactions energy: -405.195
where: short stacking energy: -197.008
Base-Backbone interact. energy: 1.352
local terms energy: -204.534221
where:
bonds (distance) C4'-P energy: -41.069
bonds (distance) P-C4' energy: -41.241
flat angles C4'-P-C4' energy: -36.359
flat angles P-C4'-P energy: -31.572
tors. eta vs tors. theta energy: -54.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -578.280561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.280561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.280561 (E_RNA)
where:
Base-Base interactions energy: -383.513
where: short stacking energy: -185.586
Base-Backbone interact. energy: -0.415
local terms energy: -194.353020
where:
bonds (distance) C4'-P energy: -39.349
bonds (distance) P-C4' energy: -36.948
flat angles C4'-P-C4' energy: -41.398
flat angles P-C4'-P energy: -26.224
tors. eta vs tors. theta energy: -50.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -540.218263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.218263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.218263 (E_RNA)
where:
Base-Base interactions energy: -342.340
where: short stacking energy: -163.847
Base-Backbone interact. energy: -0.676
local terms energy: -197.201926
where:
bonds (distance) C4'-P energy: -38.304
bonds (distance) P-C4' energy: -37.790
flat angles C4'-P-C4' energy: -39.627
flat angles P-C4'-P energy: -31.525
tors. eta vs tors. theta energy: -49.956
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: 2
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -509.061075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.061075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.061075 (E_RNA)
where:
Base-Base interactions energy: -338.933
where: short stacking energy: -160.417
Base-Backbone interact. energy: -0.220
local terms energy: -169.908067
where:
bonds (distance) C4'-P energy: -32.261
bonds (distance) P-C4' energy: -22.268
flat angles C4'-P-C4' energy: -42.511
flat angles P-C4'-P energy: -29.325
tors. eta vs tors. theta energy: -43.543
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: 5
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -228.489401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.489401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.489401 (E_RNA)
where:
Base-Base interactions energy: -89.778
where: short stacking energy: -60.692
Base-Backbone interact. energy: -0.540
local terms energy: -138.170681
where:
bonds (distance) C4'-P energy: -28.985
bonds (distance) P-C4' energy: -39.781
flat angles C4'-P-C4' energy: -34.766
flat angles P-C4'-P energy: -22.670
tors. eta vs tors. theta energy: -11.968
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: 10
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -202.892321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.892321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.892321 (E_RNA)
where:
Base-Base interactions energy: -82.662
where: short stacking energy: -61.189
Base-Backbone interact. energy: -1.370
local terms energy: -118.859823
where:
bonds (distance) C4'-P energy: -25.829
bonds (distance) P-C4' energy: -37.721
flat angles C4'-P-C4' energy: -32.229
flat angles P-C4'-P energy: -16.206
tors. eta vs tors. theta energy: -6.875
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: 9, replica: 3
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -173.752208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.752208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.752208 (E_RNA)
where:
Base-Base interactions energy: -56.190
where: short stacking energy: -50.685
Base-Backbone interact. energy: -0.384
local terms energy: -117.178114
where:
bonds (distance) C4'-P energy: -38.164
bonds (distance) P-C4' energy: -36.260
flat angles C4'-P-C4' energy: -35.743
flat angles P-C4'-P energy: -13.013
tors. eta vs tors. theta energy: 6.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -171.073065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.073065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.073065 (E_RNA)
where:
Base-Base interactions energy: -57.740
where: short stacking energy: -46.524
Base-Backbone interact. energy: 1.459
local terms energy: -114.791545
where:
bonds (distance) C4'-P energy: -34.656
bonds (distance) P-C4' energy: -22.394
flat angles C4'-P-C4' energy: -32.177
flat angles P-C4'-P energy: -14.124
tors. eta vs tors. theta energy: -11.440
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: 1, replica: 4
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -675.315874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.315874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.315874 (E_RNA)
where:
Base-Base interactions energy: -461.959
where: short stacking energy: -208.293
Base-Backbone interact. energy: -0.449
local terms energy: -212.908001
where:
bonds (distance) C4'-P energy: -38.716
bonds (distance) P-C4' energy: -35.383
flat angles C4'-P-C4' energy: -46.527
flat angles P-C4'-P energy: -28.546
tors. eta vs tors. theta energy: -63.736
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: 9
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -644.373352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.373352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.373352 (E_RNA)
where:
Base-Base interactions energy: -453.401
where: short stacking energy: -204.862
Base-Backbone interact. energy: -0.022
local terms energy: -190.950172
where:
bonds (distance) C4'-P energy: -32.784
bonds (distance) P-C4' energy: -30.605
flat angles C4'-P-C4' energy: -42.639
flat angles P-C4'-P energy: -25.034
tors. eta vs tors. theta energy: -59.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -572.726690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.726690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.726690 (E_RNA)
where:
Base-Base interactions energy: -370.050
where: short stacking energy: -171.813
Base-Backbone interact. energy: -0.388
local terms energy: -202.288531
where:
bonds (distance) C4'-P energy: -33.248
bonds (distance) P-C4' energy: -40.942
flat angles C4'-P-C4' energy: -47.229
flat angles P-C4'-P energy: -27.026
tors. eta vs tors. theta energy: -53.844
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: 4, replica: 6
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -607.384024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.384024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.384024 (E_RNA)
where:
Base-Base interactions energy: -405.347
where: short stacking energy: -194.827
Base-Backbone interact. energy: -1.104
local terms energy: -200.933120
where:
bonds (distance) C4'-P energy: -37.919
bonds (distance) P-C4' energy: -38.432
flat angles C4'-P-C4' energy: -41.568
flat angles P-C4'-P energy: -25.992
tors. eta vs tors. theta energy: -57.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -555.548934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.548934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.548934 (E_RNA)
where:
Base-Base interactions energy: -361.463
where: short stacking energy: -174.808
Base-Backbone interact. energy: -0.312
local terms energy: -193.773901
where:
bonds (distance) C4'-P energy: -29.469
bonds (distance) P-C4' energy: -44.764
flat angles C4'-P-C4' energy: -44.339
flat angles P-C4'-P energy: -25.515
tors. eta vs tors. theta energy: -49.687
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: 2
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -487.279151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.279151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.279151 (E_RNA)
where:
Base-Base interactions energy: -315.482
where: short stacking energy: -140.144
Base-Backbone interact. energy: -1.217
local terms energy: -170.579693
where:
bonds (distance) C4'-P energy: -29.999
bonds (distance) P-C4' energy: -34.833
flat angles C4'-P-C4' energy: -41.138
flat angles P-C4'-P energy: -23.232
tors. eta vs tors. theta energy: -41.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -203.755254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.755254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.755254 (E_RNA)
where:
Base-Base interactions energy: -68.827
where: short stacking energy: -50.037
Base-Backbone interact. energy: -0.733
local terms energy: -134.195010
where:
bonds (distance) C4'-P energy: -33.347
bonds (distance) P-C4' energy: -43.716
flat angles C4'-P-C4' energy: -29.352
flat angles P-C4'-P energy: -23.729
tors. eta vs tors. theta energy: -4.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -220.092574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.092574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.092574 (E_RNA)
where:
Base-Base interactions energy: -100.568
where: short stacking energy: -73.538
Base-Backbone interact. energy: 0.711
local terms energy: -120.235725
where:
bonds (distance) C4'-P energy: -37.801
bonds (distance) P-C4' energy: -31.678
flat angles C4'-P-C4' energy: -26.086
flat angles P-C4'-P energy: -19.555
tors. eta vs tors. theta energy: -5.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -220.074339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.074339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.074339 (E_RNA)
where:
Base-Base interactions energy: -110.784
where: short stacking energy: -65.167
Base-Backbone interact. energy: -0.799
local terms energy: -108.492130
where:
bonds (distance) C4'-P energy: -25.868
bonds (distance) P-C4' energy: -34.205
flat angles C4'-P-C4' energy: -27.997
flat angles P-C4'-P energy: -16.135
tors. eta vs tors. theta energy: -4.287
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: 10, replica: 3
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -173.847424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.847424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.847424 (E_RNA)
where:
Base-Base interactions energy: -65.347
where: short stacking energy: -65.347
Base-Backbone interact. energy: -0.641
local terms energy: -107.859601
where:
bonds (distance) C4'-P energy: -33.203
bonds (distance) P-C4' energy: -28.068
flat angles C4'-P-C4' energy: -19.055
flat angles P-C4'-P energy: -16.958
tors. eta vs tors. theta energy: -10.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -673.466222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.466222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.466222 (E_RNA)
where:
Base-Base interactions energy: -456.054
where: short stacking energy: -213.128
Base-Backbone interact. energy: -1.184
local terms energy: -216.227741
where:
bonds (distance) C4'-P energy: -43.649
bonds (distance) P-C4' energy: -37.879
flat angles C4'-P-C4' energy: -45.828
flat angles P-C4'-P energy: -22.723
tors. eta vs tors. theta energy: -66.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -651.869054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.869054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.869054 (E_RNA)
where:
Base-Base interactions energy: -436.305
where: short stacking energy: -202.559
Base-Backbone interact. energy: -1.555
local terms energy: -214.008550
where:
bonds (distance) C4'-P energy: -41.884
bonds (distance) P-C4' energy: -40.735
flat angles C4'-P-C4' energy: -37.979
flat angles P-C4'-P energy: -33.466
tors. eta vs tors. theta energy: -59.945
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: 8
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -572.745399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.745399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.745399 (E_RNA)
where:
Base-Base interactions energy: -361.487
where: short stacking energy: -179.552
Base-Backbone interact. energy: -0.761
local terms energy: -210.496803
where:
bonds (distance) C4'-P energy: -41.213
bonds (distance) P-C4' energy: -29.280
flat angles C4'-P-C4' energy: -46.549
flat angles P-C4'-P energy: -37.951
tors. eta vs tors. theta energy: -55.504
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: 6
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -597.553611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.553611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.553611 (E_RNA)
where:
Base-Base interactions energy: -404.267
where: short stacking energy: -177.496
Base-Backbone interact. energy: -0.338
local terms energy: -192.949048
where:
bonds (distance) C4'-P energy: -36.089
bonds (distance) P-C4' energy: -41.171
flat angles C4'-P-C4' energy: -37.065
flat angles P-C4'-P energy: -24.012
tors. eta vs tors. theta energy: -54.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -556.602839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.602839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.602839 (E_RNA)
where:
Base-Base interactions energy: -366.230
where: short stacking energy: -179.188
Base-Backbone interact. energy: -0.414
local terms energy: -189.958192
where:
bonds (distance) C4'-P energy: -35.392
bonds (distance) P-C4' energy: -36.384
flat angles C4'-P-C4' energy: -38.949
flat angles P-C4'-P energy: -25.347
tors. eta vs tors. theta energy: -53.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -546.853336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.853336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.853336 (E_RNA)
where:
Base-Base interactions energy: -355.181
where: short stacking energy: -154.259
Base-Backbone interact. energy: -0.842
local terms energy: -190.829538
where:
bonds (distance) C4'-P energy: -27.098
bonds (distance) P-C4' energy: -36.855
flat angles C4'-P-C4' energy: -46.166
flat angles P-C4'-P energy: -28.317
tors. eta vs tors. theta energy: -52.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -208.601280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.601280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.601280 (E_RNA)
where:
Base-Base interactions energy: -72.445
where: short stacking energy: -52.521
Base-Backbone interact. energy: 0.020
local terms energy: -136.176003
where:
bonds (distance) C4'-P energy: -43.846
bonds (distance) P-C4' energy: -35.172
flat angles C4'-P-C4' energy: -28.214
flat angles P-C4'-P energy: -25.293
tors. eta vs tors. theta energy: -3.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -224.833559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.833559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.833559 (E_RNA)
where:
Base-Base interactions energy: -122.875
where: short stacking energy: -72.185
Base-Backbone interact. energy: -0.975
local terms energy: -100.983497
where:
bonds (distance) C4'-P energy: -21.541
bonds (distance) P-C4' energy: -35.064
flat angles C4'-P-C4' energy: -24.400
flat angles P-C4'-P energy: -21.118
tors. eta vs tors. theta energy: 1.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -180.540741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.540741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.540741 (E_RNA)
where:
Base-Base interactions energy: -58.316
where: short stacking energy: -47.005
Base-Backbone interact. energy: -0.287
local terms energy: -121.937942
where:
bonds (distance) C4'-P energy: -36.490
bonds (distance) P-C4' energy: -36.460
flat angles C4'-P-C4' energy: -26.588
flat angles P-C4'-P energy: -21.737
tors. eta vs tors. theta energy: -0.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -170.750598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.750598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.750598 (E_RNA)
where:
Base-Base interactions energy: -54.186
where: short stacking energy: -39.257
Base-Backbone interact. energy: 0.327
local terms energy: -116.892444
where:
bonds (distance) C4'-P energy: -37.931
bonds (distance) P-C4' energy: -32.175
flat angles C4'-P-C4' energy: -34.101
flat angles P-C4'-P energy: -16.044
tors. eta vs tors. theta energy: 3.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -670.973224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.973224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.973224 (E_RNA)
where:
Base-Base interactions energy: -439.522
where: short stacking energy: -205.794
Base-Backbone interact. energy: -0.827
local terms energy: -230.624546
where:
bonds (distance) C4'-P energy: -44.145
bonds (distance) P-C4' energy: -36.388
flat angles C4'-P-C4' energy: -51.055
flat angles P-C4'-P energy: -32.048
tors. eta vs tors. theta energy: -66.989
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: 9
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -632.727818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.727818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.727818 (E_RNA)
where:
Base-Base interactions energy: -429.577
where: short stacking energy: -197.109
Base-Backbone interact. energy: -0.247
local terms energy: -202.904048
where:
bonds (distance) C4'-P energy: -35.766
bonds (distance) P-C4' energy: -41.741
flat angles C4'-P-C4' energy: -40.425
flat angles P-C4'-P energy: -30.392
tors. eta vs tors. theta energy: -54.580
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: 6
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -612.355399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.355399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.355399 (E_RNA)
where:
Base-Base interactions energy: -404.175
where: short stacking energy: -182.738
Base-Backbone interact. energy: -0.663
local terms energy: -207.518067
where:
bonds (distance) C4'-P energy: -34.235
bonds (distance) P-C4' energy: -45.642
flat angles C4'-P-C4' energy: -44.743
flat angles P-C4'-P energy: -31.398
tors. eta vs tors. theta energy: -51.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -597.525167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.525167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.525167 (E_RNA)
where:
Base-Base interactions energy: -395.949
where: short stacking energy: -187.145
Base-Backbone interact. energy: -0.883
local terms energy: -200.693690
where:
bonds (distance) C4'-P energy: -39.491
bonds (distance) P-C4' energy: -29.504
flat angles C4'-P-C4' energy: -40.329
flat angles P-C4'-P energy: -32.926
tors. eta vs tors. theta energy: -58.443
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: 5, replica: 7
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -540.715676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.715676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.715676 (E_RNA)
where:
Base-Base interactions energy: -347.050
where: short stacking energy: -164.140
Base-Backbone interact. energy: 1.082
local terms energy: -194.746875
where:
bonds (distance) C4'-P energy: -35.295
bonds (distance) P-C4' energy: -37.890
flat angles C4'-P-C4' energy: -43.701
flat angles P-C4'-P energy: -30.505
tors. eta vs tors. theta energy: -47.356
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: 2
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -537.194435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.194435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.194435 (E_RNA)
where:
Base-Base interactions energy: -343.980
where: short stacking energy: -161.683
Base-Backbone interact. energy: -1.741
local terms energy: -191.473347
where:
bonds (distance) C4'-P energy: -35.312
bonds (distance) P-C4' energy: -33.417
flat angles C4'-P-C4' energy: -38.359
flat angles P-C4'-P energy: -29.690
tors. eta vs tors. theta energy: -54.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -244.448504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.448504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.448504 (E_RNA)
where:
Base-Base interactions energy: -86.132
where: short stacking energy: -64.079
Base-Backbone interact. energy: -1.475
local terms energy: -156.841587
where:
bonds (distance) C4'-P energy: -37.288
bonds (distance) P-C4' energy: -40.682
flat angles C4'-P-C4' energy: -35.154
flat angles P-C4'-P energy: -27.821
tors. eta vs tors. theta energy: -15.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -181.132988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.132988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.132988 (E_RNA)
where:
Base-Base interactions energy: -66.904
where: short stacking energy: -62.248
Base-Backbone interact. energy: -0.177
local terms energy: -114.051805
where:
bonds (distance) C4'-P energy: -38.609
bonds (distance) P-C4' energy: -38.129
flat angles C4'-P-C4' energy: -28.736
flat angles P-C4'-P energy: -9.273
tors. eta vs tors. theta energy: 0.696
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: 9, replica: 5
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -191.659301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.659301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.659301 (E_RNA)
where:
Base-Base interactions energy: -77.822
where: short stacking energy: -70.016
Base-Backbone interact. energy: -0.759
local terms energy: -113.078054
where:
bonds (distance) C4'-P energy: -28.652
bonds (distance) P-C4' energy: -37.938
flat angles C4'-P-C4' energy: -29.063
flat angles P-C4'-P energy: -13.867
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: 3
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -164.209819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.209819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.209819 (E_RNA)
where:
Base-Base interactions energy: -50.373
where: short stacking energy: -48.204
Base-Backbone interact. energy: -0.695
local terms energy: -113.142381
where:
bonds (distance) C4'-P energy: -30.664
bonds (distance) P-C4' energy: -35.653
flat angles C4'-P-C4' energy: -38.519
flat angles P-C4'-P energy: -13.000
tors. eta vs tors. theta energy: 4.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -669.129146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.129146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.129146 (E_RNA)
where:
Base-Base interactions energy: -451.143
where: short stacking energy: -199.245
Base-Backbone interact. energy: 0.116
local terms energy: -218.102528
where:
bonds (distance) C4'-P energy: -37.186
bonds (distance) P-C4' energy: -42.870
flat angles C4'-P-C4' energy: -45.759
flat angles P-C4'-P energy: -30.784
tors. eta vs tors. theta energy: -61.503
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: 9
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -629.812159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.812159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.812159 (E_RNA)
where:
Base-Base interactions energy: -417.483
where: short stacking energy: -193.859
Base-Backbone interact. energy: -1.405
local terms energy: -210.923730
where:
bonds (distance) C4'-P energy: -34.817
bonds (distance) P-C4' energy: -38.530
flat angles C4'-P-C4' energy: -43.569
flat angles P-C4'-P energy: -34.405
tors. eta vs tors. theta energy: -59.603
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: 6
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -619.053125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.053125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.053125 (E_RNA)
where:
Base-Base interactions energy: -402.975
where: short stacking energy: -196.325
Base-Backbone interact. energy: 0.444
local terms energy: -216.521886
where:
bonds (distance) C4'-P energy: -35.390
bonds (distance) P-C4' energy: -42.689
flat angles C4'-P-C4' energy: -46.604
flat angles P-C4'-P energy: -27.582
tors. eta vs tors. theta energy: -64.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -570.523144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.523144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.523144 (E_RNA)
where:
Base-Base interactions energy: -369.481
where: short stacking energy: -178.737
Base-Backbone interact. energy: -1.367
local terms energy: -199.675235
where:
bonds (distance) C4'-P energy: -36.234
bonds (distance) P-C4' energy: -41.252
flat angles C4'-P-C4' energy: -44.127
flat angles P-C4'-P energy: -23.530
tors. eta vs tors. theta energy: -54.532
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: 7
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -556.610577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.610577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.610577 (E_RNA)
where:
Base-Base interactions energy: -362.502
where: short stacking energy: -175.882
Base-Backbone interact. energy: -0.064
local terms energy: -194.044386
where:
bonds (distance) C4'-P energy: -39.701
bonds (distance) P-C4' energy: -32.717
flat angles C4'-P-C4' energy: -42.271
flat angles P-C4'-P energy: -28.716
tors. eta vs tors. theta energy: -50.639
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: 2
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -536.862082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.862082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.862082 (E_RNA)
where:
Base-Base interactions energy: -345.301
where: short stacking energy: -148.614
Base-Backbone interact. energy: -0.547
local terms energy: -191.013381
where:
bonds (distance) C4'-P energy: -35.169
bonds (distance) P-C4' energy: -44.419
flat angles C4'-P-C4' energy: -39.447
flat angles P-C4'-P energy: -21.392
tors. eta vs tors. theta energy: -50.587
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: 163
Temperature: 1.200000
Total energy: -204.423492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.423492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.423492 (E_RNA)
where:
Base-Base interactions energy: -85.965
where: short stacking energy: -58.690
Base-Backbone interact. energy: 1.542
local terms energy: -120.000254
where:
bonds (distance) C4'-P energy: -35.418
bonds (distance) P-C4' energy: -40.841
flat angles C4'-P-C4' energy: -28.765
flat angles P-C4'-P energy: -14.089
tors. eta vs tors. theta energy: -0.888
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: 5
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -208.235615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.235615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.235615 (E_RNA)
where:
Base-Base interactions energy: -75.605
where: short stacking energy: -56.793
Base-Backbone interact. energy: 1.691
local terms energy: -134.321864
where:
bonds (distance) C4'-P energy: -37.426
bonds (distance) P-C4' energy: -37.598
flat angles C4'-P-C4' energy: -26.201
flat angles P-C4'-P energy: -29.120
tors. eta vs tors. theta energy: -3.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -178.712782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.712782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.712782 (E_RNA)
where:
Base-Base interactions energy: -58.565
where: short stacking energy: -53.531
Base-Backbone interact. energy: -2.094
local terms energy: -118.054327
where:
bonds (distance) C4'-P energy: -35.237
bonds (distance) P-C4' energy: -33.943
flat angles C4'-P-C4' energy: -29.275
flat angles P-C4'-P energy: -13.746
tors. eta vs tors. theta energy: -5.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -171.598864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.598864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.598864 (E_RNA)
where:
Base-Base interactions energy: -56.457
where: short stacking energy: -35.433
Base-Backbone interact. energy: 5.899
local terms energy: -121.040442
where:
bonds (distance) C4'-P energy: -35.840
bonds (distance) P-C4' energy: -40.204
flat angles C4'-P-C4' energy: -33.756
flat angles P-C4'-P energy: -16.405
tors. eta vs tors. theta energy: 5.165
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: 1, replica: 4
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -675.427428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.427428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.427428 (E_RNA)
where:
Base-Base interactions energy: -447.635
where: short stacking energy: -208.727
Base-Backbone interact. energy: -0.377
local terms energy: -227.414918
where:
bonds (distance) C4'-P energy: -43.052
bonds (distance) P-C4' energy: -37.417
flat angles C4'-P-C4' energy: -46.831
flat angles P-C4'-P energy: -34.010
tors. eta vs tors. theta energy: -66.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -652.418569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.418569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.418569 (E_RNA)
where:
Base-Base interactions energy: -429.571
where: short stacking energy: -199.800
Base-Backbone interact. energy: -0.253
local terms energy: -222.594308
where:
bonds (distance) C4'-P energy: -40.383
bonds (distance) P-C4' energy: -41.323
flat angles C4'-P-C4' energy: -43.130
flat angles P-C4'-P energy: -30.713
tors. eta vs tors. theta energy: -67.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -610.291890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.291890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.291890 (E_RNA)
where:
Base-Base interactions energy: -405.269
where: short stacking energy: -182.820
Base-Backbone interact. energy: -1.143
local terms energy: -203.879955
where:
bonds (distance) C4'-P energy: -32.293
bonds (distance) P-C4' energy: -41.787
flat angles C4'-P-C4' energy: -41.185
flat angles P-C4'-P energy: -32.679
tors. eta vs tors. theta energy: -55.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -577.692146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.692146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.692146 (E_RNA)
where:
Base-Base interactions energy: -379.062
where: short stacking energy: -179.682
Base-Backbone interact. energy: 0.216
local terms energy: -198.845982
where:
bonds (distance) C4'-P energy: -41.128
bonds (distance) P-C4' energy: -30.185
flat angles C4'-P-C4' energy: -45.620
flat angles P-C4'-P energy: -30.563
tors. eta vs tors. theta energy: -51.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -550.938562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.938562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.938562 (E_RNA)
where:
Base-Base interactions energy: -369.607
where: short stacking energy: -175.004
Base-Backbone interact. energy: -0.306
local terms energy: -181.025174
where:
bonds (distance) C4'-P energy: -31.274
bonds (distance) P-C4' energy: -35.735
flat angles C4'-P-C4' energy: -39.523
flat angles P-C4'-P energy: -28.865
tors. eta vs tors. theta energy: -45.628
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: 2
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -557.471882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.471882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.471882 (E_RNA)
where:
Base-Base interactions energy: -372.848
where: short stacking energy: -169.453
Base-Backbone interact. energy: 2.445
local terms energy: -187.068649
where:
bonds (distance) C4'-P energy: -33.211
bonds (distance) P-C4' energy: -34.896
flat angles C4'-P-C4' energy: -43.256
flat angles P-C4'-P energy: -23.597
tors. eta vs tors. theta energy: -52.109
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: 1
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -215.816888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.816888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.816888 (E_RNA)
where:
Base-Base interactions energy: -73.073
where: short stacking energy: -67.054
Base-Backbone interact. energy: -0.543
local terms energy: -142.201415
where:
bonds (distance) C4'-P energy: -35.599
bonds (distance) P-C4' energy: -38.678
flat angles C4'-P-C4' energy: -38.627
flat angles P-C4'-P energy: -17.041
tors. eta vs tors. theta energy: -12.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -194.288946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.288946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.288946 (E_RNA)
where:
Base-Base interactions energy: -74.896
where: short stacking energy: -49.569
Base-Backbone interact. energy: -3.455
local terms energy: -115.938268
where:
bonds (distance) C4'-P energy: -35.902
bonds (distance) P-C4' energy: -33.826
flat angles C4'-P-C4' energy: -31.217
flat angles P-C4'-P energy: -22.184
tors. eta vs tors. theta energy: 7.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -204.108052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.108052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.108052 (E_RNA)
where:
Base-Base interactions energy: -70.932
where: short stacking energy: -62.815
Base-Backbone interact. energy: -1.294
local terms energy: -131.882589
where:
bonds (distance) C4'-P energy: -38.808
bonds (distance) P-C4' energy: -39.621
flat angles C4'-P-C4' energy: -26.871
flat angles P-C4'-P energy: -21.555
tors. eta vs tors. theta energy: -5.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -179.172514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.172514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.172514 (E_RNA)
where:
Base-Base interactions energy: -66.329
where: short stacking energy: -57.842
Base-Backbone interact. energy: -0.305
local terms energy: -112.538186
where:
bonds (distance) C4'-P energy: -32.996
bonds (distance) P-C4' energy: -31.102
flat angles C4'-P-C4' energy: -34.701
flat angles P-C4'-P energy: -9.470
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: 4
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -672.849355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.849355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.849355 (E_RNA)
where:
Base-Base interactions energy: -446.148
where: short stacking energy: -201.720
Base-Backbone interact. energy: -1.907
local terms energy: -224.794690
where:
bonds (distance) C4'-P energy: -40.793
bonds (distance) P-C4' energy: -41.964
flat angles C4'-P-C4' energy: -48.944
flat angles P-C4'-P energy: -31.935
tors. eta vs tors. theta energy: -61.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -660.475650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.475650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.475650 (E_RNA)
where:
Base-Base interactions energy: -436.375
where: short stacking energy: -198.578
Base-Backbone interact. energy: -1.066
local terms energy: -223.034280
where:
bonds (distance) C4'-P energy: -37.475
bonds (distance) P-C4' energy: -44.689
flat angles C4'-P-C4' energy: -45.482
flat angles P-C4'-P energy: -30.301
tors. eta vs tors. theta energy: -65.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -616.229180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.229180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.229180 (E_RNA)
where:
Base-Base interactions energy: -397.997
where: short stacking energy: -186.629
Base-Backbone interact. energy: -0.332
local terms energy: -217.899452
where:
bonds (distance) C4'-P energy: -31.117
bonds (distance) P-C4' energy: -43.545
flat angles C4'-P-C4' energy: -49.347
flat angles P-C4'-P energy: -35.636
tors. eta vs tors. theta energy: -58.255
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: 165
Temperature: 1.050000
Total energy: -567.039924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.039924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.039924 (E_RNA)
where:
Base-Base interactions energy: -368.506
where: short stacking energy: -177.263
Base-Backbone interact. energy: -0.284
local terms energy: -198.250614
where:
bonds (distance) C4'-P energy: -36.116
bonds (distance) P-C4' energy: -37.529
flat angles C4'-P-C4' energy: -42.735
flat angles P-C4'-P energy: -29.794
tors. eta vs tors. theta energy: -52.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -558.118153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.118153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.118153 (E_RNA)
where:
Base-Base interactions energy: -360.770
where: short stacking energy: -165.410
Base-Backbone interact. energy: -0.502
local terms energy: -196.846452
where:
bonds (distance) C4'-P energy: -39.374
bonds (distance) P-C4' energy: -37.950
flat angles C4'-P-C4' energy: -40.594
flat angles P-C4'-P energy: -35.107
tors. eta vs tors. theta energy: -43.822
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: 2
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -525.161902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.161902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.161902 (E_RNA)
where:
Base-Base interactions energy: -348.018
where: short stacking energy: -155.221
Base-Backbone interact. energy: -0.665
local terms energy: -176.479823
where:
bonds (distance) C4'-P energy: -30.158
bonds (distance) P-C4' energy: -37.689
flat angles C4'-P-C4' energy: -28.978
flat angles P-C4'-P energy: -29.079
tors. eta vs tors. theta energy: -50.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -213.456211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.456211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.456211 (E_RNA)
where:
Base-Base interactions energy: -80.048
where: short stacking energy: -63.703
Base-Backbone interact. energy: -0.755
local terms energy: -132.653246
where:
bonds (distance) C4'-P energy: -31.238
bonds (distance) P-C4' energy: -42.281
flat angles C4'-P-C4' energy: -30.925
flat angles P-C4'-P energy: -19.650
tors. eta vs tors. theta energy: -8.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -253.524448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.524448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.524448 (E_RNA)
where:
Base-Base interactions energy: -126.263
where: short stacking energy: -83.516
Base-Backbone interact. energy: -0.356
local terms energy: -126.904934
where:
bonds (distance) C4'-P energy: -36.783
bonds (distance) P-C4' energy: -34.612
flat angles C4'-P-C4' energy: -31.922
flat angles P-C4'-P energy: -14.496
tors. eta vs tors. theta energy: -9.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -198.922793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.922793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.922793 (E_RNA)
where:
Base-Base interactions energy: -63.493
where: short stacking energy: -43.637
Base-Backbone interact. energy: -0.098
local terms energy: -135.331667
where:
bonds (distance) C4'-P energy: -38.519
bonds (distance) P-C4' energy: -37.398
flat angles C4'-P-C4' energy: -37.498
flat angles P-C4'-P energy: -19.785
tors. eta vs tors. theta energy: -2.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -166.997570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.997570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.997570 (E_RNA)
where:
Base-Base interactions energy: -62.068
where: short stacking energy: -52.203
Base-Backbone interact. energy: -0.502
local terms energy: -104.428080
where:
bonds (distance) C4'-P energy: -34.568
bonds (distance) P-C4' energy: -21.596
flat angles C4'-P-C4' energy: -23.424
flat angles P-C4'-P energy: -20.707
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: 9
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -663.714274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.714274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.714274 (E_RNA)
where:
Base-Base interactions energy: -437.755
where: short stacking energy: -207.896
Base-Backbone interact. energy: -0.915
local terms energy: -225.044341
where:
bonds (distance) C4'-P energy: -39.364
bonds (distance) P-C4' energy: -43.361
flat angles C4'-P-C4' energy: -44.126
flat angles P-C4'-P energy: -36.339
tors. eta vs tors. theta energy: -61.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -661.496019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.496019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.496019 (E_RNA)
where:
Base-Base interactions energy: -454.818
where: short stacking energy: -200.706
Base-Backbone interact. energy: -0.265
local terms energy: -206.412317
where:
bonds (distance) C4'-P energy: -36.616
bonds (distance) P-C4' energy: -41.637
flat angles C4'-P-C4' energy: -43.717
flat angles P-C4'-P energy: -24.731
tors. eta vs tors. theta energy: -59.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -617.637278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.637278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.637278 (E_RNA)
where:
Base-Base interactions energy: -421.528
where: short stacking energy: -196.085
Base-Backbone interact. energy: -0.219
local terms energy: -195.890692
where:
bonds (distance) C4'-P energy: -36.352
bonds (distance) P-C4' energy: -35.837
flat angles C4'-P-C4' energy: -35.792
flat angles P-C4'-P energy: -28.007
tors. eta vs tors. theta energy: -59.903
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: 7
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -601.185897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.185897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.185897 (E_RNA)
where:
Base-Base interactions energy: -401.210
where: short stacking energy: -190.871
Base-Backbone interact. energy: -0.099
local terms energy: -199.877464
where:
bonds (distance) C4'-P energy: -38.651
bonds (distance) P-C4' energy: -25.097
flat angles C4'-P-C4' energy: -46.946
flat angles P-C4'-P energy: -29.966
tors. eta vs tors. theta energy: -59.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -553.952742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.952742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.952742 (E_RNA)
where:
Base-Base interactions energy: -364.161
where: short stacking energy: -177.145
Base-Backbone interact. energy: -0.298
local terms energy: -189.494062
where:
bonds (distance) C4'-P energy: -33.781
bonds (distance) P-C4' energy: -23.919
flat angles C4'-P-C4' energy: -46.872
flat angles P-C4'-P energy: -28.038
tors. eta vs tors. theta energy: -56.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -521.589151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.589151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.589151 (E_RNA)
where:
Base-Base interactions energy: -349.977
where: short stacking energy: -139.867
Base-Backbone interact. energy: -0.322
local terms energy: -171.290809
where:
bonds (distance) C4'-P energy: -28.017
bonds (distance) P-C4' energy: -41.429
flat angles C4'-P-C4' energy: -35.352
flat angles P-C4'-P energy: -24.249
tors. eta vs tors. theta energy: -42.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -276.242407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.242407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.242407 (E_RNA)
where:
Base-Base interactions energy: -128.796
where: short stacking energy: -76.849
Base-Backbone interact. energy: -0.165
local terms energy: -147.281230
where:
bonds (distance) C4'-P energy: -36.395
bonds (distance) P-C4' energy: -41.108
flat angles C4'-P-C4' energy: -36.042
flat angles P-C4'-P energy: -19.906
tors. eta vs tors. theta energy: -13.830
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: 1
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -197.919908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.919908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.919908 (E_RNA)
where:
Base-Base interactions energy: -77.744
where: short stacking energy: -70.793
Base-Backbone interact. energy: -1.199
local terms energy: -118.976401
where:
bonds (distance) C4'-P energy: -36.236
bonds (distance) P-C4' energy: -25.892
flat angles C4'-P-C4' energy: -29.731
flat angles P-C4'-P energy: -20.799
tors. eta vs tors. theta energy: -6.319
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: 9, replica: 5
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -195.875098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.875098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.875098 (E_RNA)
where:
Base-Base interactions energy: -74.522
where: short stacking energy: -53.981
Base-Backbone interact. energy: -1.799
local terms energy: -119.554554
where:
bonds (distance) C4'-P energy: -33.505
bonds (distance) P-C4' energy: -36.956
flat angles C4'-P-C4' energy: -25.967
flat angles P-C4'-P energy: -22.090
tors. eta vs tors. theta energy: -1.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -175.431816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.431816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.431816 (E_RNA)
where:
Base-Base interactions energy: -69.218
where: short stacking energy: -51.293
Base-Backbone interact. energy: 2.327
local terms energy: -108.540734
where:
bonds (distance) C4'-P energy: -33.303
bonds (distance) P-C4' energy: -32.861
flat angles C4'-P-C4' energy: -31.810
flat angles P-C4'-P energy: -11.530
tors. eta vs tors. theta energy: 0.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -665.952058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.952058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.952058 (E_RNA)
where:
Base-Base interactions energy: -458.420
where: short stacking energy: -216.088
Base-Backbone interact. energy: -0.515
local terms energy: -207.017883
where:
bonds (distance) C4'-P energy: -35.828
bonds (distance) P-C4' energy: -40.718
flat angles C4'-P-C4' energy: -41.365
flat angles P-C4'-P energy: -27.644
tors. eta vs tors. theta energy: -61.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -679.143337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.143337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.143337 (E_RNA)
where:
Base-Base interactions energy: -457.854
where: short stacking energy: -207.254
Base-Backbone interact. energy: -0.415
local terms energy: -220.874114
where:
bonds (distance) C4'-P energy: -44.002
bonds (distance) P-C4' energy: -39.326
flat angles C4'-P-C4' energy: -47.607
flat angles P-C4'-P energy: -28.274
tors. eta vs tors. theta energy: -61.665
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: 6
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -582.304529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.304529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.304529 (E_RNA)
where:
Base-Base interactions energy: -373.583
where: short stacking energy: -182.752
Base-Backbone interact. energy: -1.253
local terms energy: -207.468374
where:
bonds (distance) C4'-P energy: -30.538
bonds (distance) P-C4' energy: -44.360
flat angles C4'-P-C4' energy: -44.346
flat angles P-C4'-P energy: -32.230
tors. eta vs tors. theta energy: -55.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -559.252075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.252075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.252075 (E_RNA)
where:
Base-Base interactions energy: -367.186
where: short stacking energy: -168.388
Base-Backbone interact. energy: -0.786
local terms energy: -191.280316
where:
bonds (distance) C4'-P energy: -38.350
bonds (distance) P-C4' energy: -37.311
flat angles C4'-P-C4' energy: -42.640
flat angles P-C4'-P energy: -27.272
tors. eta vs tors. theta energy: -45.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -556.254843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.254843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.254843 (E_RNA)
where:
Base-Base interactions energy: -364.642
where: short stacking energy: -183.414
Base-Backbone interact. energy: -0.255
local terms energy: -191.357752
where:
bonds (distance) C4'-P energy: -35.089
bonds (distance) P-C4' energy: -40.418
flat angles C4'-P-C4' energy: -39.854
flat angles P-C4'-P energy: -14.252
tors. eta vs tors. theta energy: -61.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -527.447587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.447587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.447587 (E_RNA)
where:
Base-Base interactions energy: -343.639
where: short stacking energy: -140.473
Base-Backbone interact. energy: -0.600
local terms energy: -183.208343
where:
bonds (distance) C4'-P energy: -36.593
bonds (distance) P-C4' energy: -42.695
flat angles C4'-P-C4' energy: -33.694
flat angles P-C4'-P energy: -24.569
tors. eta vs tors. theta energy: -45.658
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: 10
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -242.752463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.752463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.752463 (E_RNA)
where:
Base-Base interactions energy: -118.709
where: short stacking energy: -71.050
Base-Backbone interact. energy: -0.793
local terms energy: -123.250361
where:
bonds (distance) C4'-P energy: -22.895
bonds (distance) P-C4' energy: -33.561
flat angles C4'-P-C4' energy: -29.619
flat angles P-C4'-P energy: -27.533
tors. eta vs tors. theta energy: -9.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -193.222955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.222955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.222955 (E_RNA)
where:
Base-Base interactions energy: -61.372
where: short stacking energy: -52.480
Base-Backbone interact. energy: 3.190
local terms energy: -135.041323
where:
bonds (distance) C4'-P energy: -43.337
bonds (distance) P-C4' energy: -41.411
flat angles C4'-P-C4' energy: -28.761
flat angles P-C4'-P energy: -10.767
tors. eta vs tors. theta energy: -10.766
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: 1
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -184.342889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.342889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.342889 (E_RNA)
where:
Base-Base interactions energy: -66.386
where: short stacking energy: -57.504
Base-Backbone interact. energy: 2.743
local terms energy: -120.699665
where:
bonds (distance) C4'-P energy: -32.158
bonds (distance) P-C4' energy: -31.185
flat angles C4'-P-C4' energy: -35.166
flat angles P-C4'-P energy: -27.494
tors. eta vs tors. theta energy: 5.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -191.356972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.356972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.356972 (E_RNA)
where:
Base-Base interactions energy: -60.854
where: short stacking energy: -52.511
Base-Backbone interact. energy: -0.445
local terms energy: -130.058225
where:
bonds (distance) C4'-P energy: -31.770
bonds (distance) P-C4' energy: -39.160
flat angles C4'-P-C4' energy: -32.129
flat angles P-C4'-P energy: -24.181
tors. eta vs tors. theta energy: -2.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -664.903038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.903038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.903038 (E_RNA)
where:
Base-Base interactions energy: -448.211
where: short stacking energy: -200.275
Base-Backbone interact. energy: -1.798
local terms energy: -214.893953
where:
bonds (distance) C4'-P energy: -34.501
bonds (distance) P-C4' energy: -39.319
flat angles C4'-P-C4' energy: -46.086
flat angles P-C4'-P energy: -34.767
tors. eta vs tors. theta energy: -60.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -639.054659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.054659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.054659 (E_RNA)
where:
Base-Base interactions energy: -429.698
where: short stacking energy: -192.317
Base-Backbone interact. energy: 0.173
local terms energy: -209.529527
where:
bonds (distance) C4'-P energy: -37.868
bonds (distance) P-C4' energy: -36.534
flat angles C4'-P-C4' energy: -44.523
flat angles P-C4'-P energy: -30.672
tors. eta vs tors. theta energy: -59.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -586.300776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.300776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.300776 (E_RNA)
where:
Base-Base interactions energy: -381.209
where: short stacking energy: -172.700
Base-Backbone interact. energy: 0.321
local terms energy: -205.412905
where:
bonds (distance) C4'-P energy: -40.854
bonds (distance) P-C4' energy: -36.960
flat angles C4'-P-C4' energy: -42.833
flat angles P-C4'-P energy: -28.860
tors. eta vs tors. theta energy: -55.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -575.009804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.009804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.009804 (E_RNA)
where:
Base-Base interactions energy: -383.745
where: short stacking energy: -158.566
Base-Backbone interact. energy: 0.859
local terms energy: -192.123907
where:
bonds (distance) C4'-P energy: -37.283
bonds (distance) P-C4' energy: -38.874
flat angles C4'-P-C4' energy: -39.358
flat angles P-C4'-P energy: -28.208
tors. eta vs tors. theta energy: -48.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -527.389587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.389587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.389587 (E_RNA)
where:
Base-Base interactions energy: -351.594
where: short stacking energy: -143.102
Base-Backbone interact. energy: -0.055
local terms energy: -175.740590
where:
bonds (distance) C4'-P energy: -37.821
bonds (distance) P-C4' energy: -33.191
flat angles C4'-P-C4' energy: -36.364
flat angles P-C4'-P energy: -29.363
tors. eta vs tors. theta energy: -39.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -535.371707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.371707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.371707 (E_RNA)
where:
Base-Base interactions energy: -352.164
where: short stacking energy: -165.054
Base-Backbone interact. energy: -0.577
local terms energy: -182.630986
where:
bonds (distance) C4'-P energy: -31.458
bonds (distance) P-C4' energy: -35.613
flat angles C4'-P-C4' energy: -38.742
flat angles P-C4'-P energy: -26.519
tors. eta vs tors. theta energy: -50.299
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: 10
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -250.758005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.758005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.758005 (E_RNA)
where:
Base-Base interactions energy: -103.343
where: short stacking energy: -75.510
Base-Backbone interact. energy: -0.907
local terms energy: -146.507713
where:
bonds (distance) C4'-P energy: -40.348
bonds (distance) P-C4' energy: -35.746
flat angles C4'-P-C4' energy: -34.237
flat angles P-C4'-P energy: -23.901
tors. eta vs tors. theta energy: -12.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -180.152977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.152977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.152977 (E_RNA)
where:
Base-Base interactions energy: -64.020
where: short stacking energy: -52.497
Base-Backbone interact. energy: -0.358
local terms energy: -115.775235
where:
bonds (distance) C4'-P energy: -35.995
bonds (distance) P-C4' energy: -29.300
flat angles C4'-P-C4' energy: -30.936
flat angles P-C4'-P energy: -23.946
tors. eta vs tors. theta energy: 4.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -176.164176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.164176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.164176 (E_RNA)
where:
Base-Base interactions energy: -66.258
where: short stacking energy: -57.794
Base-Backbone interact. energy: -0.636
local terms energy: -109.270921
where:
bonds (distance) C4'-P energy: -34.900
bonds (distance) P-C4' energy: -34.299
flat angles C4'-P-C4' energy: -33.077
flat angles P-C4'-P energy: -9.456
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: 10, replica: 3
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -154.172450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.172450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.172450 (E_RNA)
where:
Base-Base interactions energy: -67.483
where: short stacking energy: -65.329
Base-Backbone interact. energy: 1.609
local terms energy: -88.298242
where:
bonds (distance) C4'-P energy: -36.854
bonds (distance) P-C4' energy: -26.660
flat angles C4'-P-C4' energy: -22.954
flat angles P-C4'-P energy: -10.479
tors. eta vs tors. theta energy: 8.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -666.442596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.442596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.442596 (E_RNA)
where:
Base-Base interactions energy: -439.851
where: short stacking energy: -204.403
Base-Backbone interact. energy: -0.605
local terms energy: -225.986631
where:
bonds (distance) C4'-P energy: -40.178
bonds (distance) P-C4' energy: -40.857
flat angles C4'-P-C4' energy: -48.324
flat angles P-C4'-P energy: -32.479
tors. eta vs tors. theta energy: -64.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -631.516052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.516052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.516052 (E_RNA)
where:
Base-Base interactions energy: -420.967
where: short stacking energy: -195.644
Base-Backbone interact. energy: 0.187
local terms energy: -210.735946
where:
bonds (distance) C4'-P energy: -36.939
bonds (distance) P-C4' energy: -40.149
flat angles C4'-P-C4' energy: -45.938
flat angles P-C4'-P energy: -27.738
tors. eta vs tors. theta energy: -59.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -614.623026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.623026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.623026 (E_RNA)
where:
Base-Base interactions energy: -405.632
where: short stacking energy: -189.692
Base-Backbone interact. energy: -0.554
local terms energy: -208.437643
where:
bonds (distance) C4'-P energy: -35.781
bonds (distance) P-C4' energy: -41.223
flat angles C4'-P-C4' energy: -48.224
flat angles P-C4'-P energy: -22.589
tors. eta vs tors. theta energy: -60.620
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: 6
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -584.151515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.151515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.151515 (E_RNA)
where:
Base-Base interactions energy: -386.757
where: short stacking energy: -173.588
Base-Backbone interact. energy: 0.067
local terms energy: -197.460909
where:
bonds (distance) C4'-P energy: -41.938
bonds (distance) P-C4' energy: -30.045
flat angles C4'-P-C4' energy: -48.174
flat angles P-C4'-P energy: -29.955
tors. eta vs tors. theta energy: -47.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -524.155769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.155769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.155769 (E_RNA)
where:
Base-Base interactions energy: -338.359
where: short stacking energy: -150.367
Base-Backbone interact. energy: 0.450
local terms energy: -186.246170
where:
bonds (distance) C4'-P energy: -41.659
bonds (distance) P-C4' energy: -33.229
flat angles C4'-P-C4' energy: -39.698
flat angles P-C4'-P energy: -24.309
tors. eta vs tors. theta energy: -47.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -542.722757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.722757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.722757 (E_RNA)
where:
Base-Base interactions energy: -351.193
where: short stacking energy: -171.079
Base-Backbone interact. energy: -0.253
local terms energy: -191.276703
where:
bonds (distance) C4'-P energy: -37.464
bonds (distance) P-C4' energy: -34.205
flat angles C4'-P-C4' energy: -42.249
flat angles P-C4'-P energy: -23.835
tors. eta vs tors. theta energy: -53.524
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: 10
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -224.547119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.547119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.547119 (E_RNA)
where:
Base-Base interactions energy: -73.848
where: short stacking energy: -66.747
Base-Backbone interact. energy: -0.842
local terms energy: -149.857301
where:
bonds (distance) C4'-P energy: -39.128
bonds (distance) P-C4' energy: -38.295
flat angles C4'-P-C4' energy: -35.900
flat angles P-C4'-P energy: -23.429
tors. eta vs tors. theta energy: -13.105
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: 8, replica: 1
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -197.577637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.577637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.577637 (E_RNA)
where:
Base-Base interactions energy: -71.999
where: short stacking energy: -48.336
Base-Backbone interact. energy: -1.181
local terms energy: -124.398411
where:
bonds (distance) C4'-P energy: -34.561
bonds (distance) P-C4' energy: -39.520
flat angles C4'-P-C4' energy: -35.907
flat angles P-C4'-P energy: -21.542
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: 9, replica: 5
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -169.197187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.197187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.197187 (E_RNA)
where:
Base-Base interactions energy: -52.058
where: short stacking energy: -51.417
Base-Backbone interact. energy: 0.536
local terms energy: -117.675271
where:
bonds (distance) C4'-P energy: -32.070
bonds (distance) P-C4' energy: -39.118
flat angles C4'-P-C4' energy: -29.589
flat angles P-C4'-P energy: -14.775
tors. eta vs tors. theta energy: -2.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -160.357200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.357200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.357200 (E_RNA)
where:
Base-Base interactions energy: -56.232
where: short stacking energy: -49.184
Base-Backbone interact. energy: 7.535
local terms energy: -111.660360
where:
bonds (distance) C4'-P energy: -36.903
bonds (distance) P-C4' energy: -27.149
flat angles C4'-P-C4' energy: -33.809
flat angles P-C4'-P energy: -15.400
tors. eta vs tors. theta energy: 1.600
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: 4
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -681.426333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.426333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.426333 (E_RNA)
where:
Base-Base interactions energy: -465.604
where: short stacking energy: -207.414
Base-Backbone interact. energy: -1.536
local terms energy: -214.285788
where:
bonds (distance) C4'-P energy: -40.535
bonds (distance) P-C4' energy: -41.117
flat angles C4'-P-C4' energy: -39.535
flat angles P-C4'-P energy: -29.806
tors. eta vs tors. theta energy: -63.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -650.277457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.277457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.277457 (E_RNA)
where:
Base-Base interactions energy: -438.176
where: short stacking energy: -200.123
Base-Backbone interact. energy: -0.040
local terms energy: -212.061615
where:
bonds (distance) C4'-P energy: -38.128
bonds (distance) P-C4' energy: -39.832
flat angles C4'-P-C4' energy: -44.219
flat angles P-C4'-P energy: -29.803
tors. eta vs tors. theta energy: -60.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -616.609353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.609353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.609353 (E_RNA)
where:
Base-Base interactions energy: -395.216
where: short stacking energy: -200.730
Base-Backbone interact. energy: -0.804
local terms energy: -220.589580
where:
bonds (distance) C4'-P energy: -33.589
bonds (distance) P-C4' energy: -44.267
flat angles C4'-P-C4' energy: -50.102
flat angles P-C4'-P energy: -29.529
tors. eta vs tors. theta energy: -63.102
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: 6
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -580.104239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.104239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.104239 (E_RNA)
where:
Base-Base interactions energy: -387.855
where: short stacking energy: -169.884
Base-Backbone interact. energy: -1.019
local terms energy: -191.229549
where:
bonds (distance) C4'-P energy: -35.790
bonds (distance) P-C4' energy: -42.353
flat angles C4'-P-C4' energy: -41.731
flat angles P-C4'-P energy: -25.610
tors. eta vs tors. theta energy: -45.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -548.075038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.075038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.075038 (E_RNA)
where:
Base-Base interactions energy: -368.130
where: short stacking energy: -182.058
Base-Backbone interact. energy: -0.078
local terms energy: -179.866872
where:
bonds (distance) C4'-P energy: -28.770
bonds (distance) P-C4' energy: -37.554
flat angles C4'-P-C4' energy: -40.575
flat angles P-C4'-P energy: -22.823
tors. eta vs tors. theta energy: -50.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -510.871198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.871198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.871198 (E_RNA)
where:
Base-Base interactions energy: -339.346
where: short stacking energy: -149.779
Base-Backbone interact. energy: -0.311
local terms energy: -171.214062
where:
bonds (distance) C4'-P energy: -31.234
bonds (distance) P-C4' energy: -36.744
flat angles C4'-P-C4' energy: -34.734
flat angles P-C4'-P energy: -24.495
tors. eta vs tors. theta energy: -44.008
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: 10
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -199.036660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.036660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.036660 (E_RNA)
where:
Base-Base interactions energy: -73.808
where: short stacking energy: -63.668
Base-Backbone interact. energy: -0.846
local terms energy: -124.381829
where:
bonds (distance) C4'-P energy: -33.315
bonds (distance) P-C4' energy: -35.068
flat angles C4'-P-C4' energy: -32.197
flat angles P-C4'-P energy: -26.807
tors. eta vs tors. theta energy: 3.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -182.225132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.225132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.225132 (E_RNA)
where:
Base-Base interactions energy: -70.024
where: short stacking energy: -55.776
Base-Backbone interact. energy: -0.381
local terms energy: -111.819458
where:
bonds (distance) C4'-P energy: -36.409
bonds (distance) P-C4' energy: -30.167
flat angles C4'-P-C4' energy: -28.411
flat angles P-C4'-P energy: -23.514
tors. eta vs tors. theta energy: 6.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -181.929174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.929174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.929174 (E_RNA)
where:
Base-Base interactions energy: -63.517
where: short stacking energy: -37.933
Base-Backbone interact. energy: 0.348
local terms energy: -118.760245
where:
bonds (distance) C4'-P energy: -30.489
bonds (distance) P-C4' energy: -39.504
flat angles C4'-P-C4' energy: -33.483
flat angles P-C4'-P energy: -13.524
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: 10, replica: 5
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -192.075278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.075278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.075278 (E_RNA)
where:
Base-Base interactions energy: -81.707
where: short stacking energy: -46.618
Base-Backbone interact. energy: 2.159
local terms energy: -112.527392
where:
bonds (distance) C4'-P energy: -29.004
bonds (distance) P-C4' energy: -32.643
flat angles C4'-P-C4' energy: -27.638
flat angles P-C4'-P energy: -19.231
tors. eta vs tors. theta energy: -4.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -670.091759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.091759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.091759 (E_RNA)
where:
Base-Base interactions energy: -452.630
where: short stacking energy: -198.124
Base-Backbone interact. energy: -0.222
local terms energy: -217.238856
where:
bonds (distance) C4'-P energy: -37.761
bonds (distance) P-C4' energy: -42.200
flat angles C4'-P-C4' energy: -44.401
flat angles P-C4'-P energy: -26.113
tors. eta vs tors. theta energy: -66.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -638.235741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.235741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.235741 (E_RNA)
where:
Base-Base interactions energy: -433.731
where: short stacking energy: -196.717
Base-Backbone interact. energy: -0.997
local terms energy: -203.508367
where:
bonds (distance) C4'-P energy: -37.309
bonds (distance) P-C4' energy: -37.108
flat angles C4'-P-C4' energy: -38.395
flat angles P-C4'-P energy: -34.015
tors. eta vs tors. theta energy: -56.682
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: 3, replica: 8
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -613.968330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.968330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.968330 (E_RNA)
where:
Base-Base interactions energy: -408.642
where: short stacking energy: -191.529
Base-Backbone interact. energy: 1.381
local terms energy: -206.707309
where:
bonds (distance) C4'-P energy: -36.824
bonds (distance) P-C4' energy: -36.285
flat angles C4'-P-C4' energy: -44.558
flat angles P-C4'-P energy: -34.036
tors. eta vs tors. theta energy: -55.006
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: 6
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -601.901202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.901202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.901202 (E_RNA)
where:
Base-Base interactions energy: -409.161
where: short stacking energy: -179.211
Base-Backbone interact. energy: -1.150
local terms energy: -191.589854
where:
bonds (distance) C4'-P energy: -39.366
bonds (distance) P-C4' energy: -34.261
flat angles C4'-P-C4' energy: -38.168
flat angles P-C4'-P energy: -28.639
tors. eta vs tors. theta energy: -51.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -551.024609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.024609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.024609 (E_RNA)
where:
Base-Base interactions energy: -356.015
where: short stacking energy: -168.299
Base-Backbone interact. energy: -0.637
local terms energy: -194.372709
where:
bonds (distance) C4'-P energy: -28.137
bonds (distance) P-C4' energy: -39.626
flat angles C4'-P-C4' energy: -45.184
flat angles P-C4'-P energy: -27.177
tors. eta vs tors. theta energy: -54.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -514.743634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.743634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.743634 (E_RNA)
where:
Base-Base interactions energy: -332.243
where: short stacking energy: -159.744
Base-Backbone interact. energy: -0.773
local terms energy: -181.727475
where:
bonds (distance) C4'-P energy: -32.680
bonds (distance) P-C4' energy: -29.377
flat angles C4'-P-C4' energy: -44.249
flat angles P-C4'-P energy: -29.268
tors. eta vs tors. theta energy: -46.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -214.281002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.281002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.281002 (E_RNA)
where:
Base-Base interactions energy: -87.305
where: short stacking energy: -46.599
Base-Backbone interact. energy: -0.992
local terms energy: -125.983540
where:
bonds (distance) C4'-P energy: -36.776
bonds (distance) P-C4' energy: -39.311
flat angles C4'-P-C4' energy: -37.049
flat angles P-C4'-P energy: -13.636
tors. eta vs tors. theta energy: 0.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -184.757040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.757040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.757040 (E_RNA)
where:
Base-Base interactions energy: -63.798
where: short stacking energy: -58.749
Base-Backbone interact. energy: -1.090
local terms energy: -119.868501
where:
bonds (distance) C4'-P energy: -25.935
bonds (distance) P-C4' energy: -37.154
flat angles C4'-P-C4' energy: -35.794
flat angles P-C4'-P energy: -20.174
tors. eta vs tors. theta energy: -0.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -193.046518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.046518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.046518 (E_RNA)
where:
Base-Base interactions energy: -91.861
where: short stacking energy: -47.650
Base-Backbone interact. energy: -0.172
local terms energy: -101.013344
where:
bonds (distance) C4'-P energy: -36.889
bonds (distance) P-C4' energy: -35.836
flat angles C4'-P-C4' energy: -20.880
flat angles P-C4'-P energy: -8.877
tors. eta vs tors. theta energy: 1.469
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: 5
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -170.923171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.923171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.923171 (E_RNA)
where:
Base-Base interactions energy: -42.499
where: short stacking energy: -38.391
Base-Backbone interact. energy: -0.191
local terms energy: -128.233572
where:
bonds (distance) C4'-P energy: -38.463
bonds (distance) P-C4' energy: -45.165
flat angles C4'-P-C4' energy: -28.520
flat angles P-C4'-P energy: -17.705
tors. eta vs tors. theta energy: 1.619
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: 4
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -682.320538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.320538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.320538 (E_RNA)
where:
Base-Base interactions energy: -457.559
where: short stacking energy: -214.591
Base-Backbone interact. energy: -1.276
local terms energy: -223.485608
where:
bonds (distance) C4'-P energy: -35.518
bonds (distance) P-C4' energy: -42.509
flat angles C4'-P-C4' energy: -46.799
flat angles P-C4'-P energy: -30.788
tors. eta vs tors. theta energy: -67.872
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: 2, replica: 9
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -665.126938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.126938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.126938 (E_RNA)
where:
Base-Base interactions energy: -447.181
where: short stacking energy: -197.319
Base-Backbone interact. energy: -2.095
local terms energy: -215.851402
where:
bonds (distance) C4'-P energy: -33.782
bonds (distance) P-C4' energy: -40.957
flat angles C4'-P-C4' energy: -44.166
flat angles P-C4'-P energy: -30.580
tors. eta vs tors. theta energy: -66.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -613.485707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.485707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.485707 (E_RNA)
where:
Base-Base interactions energy: -415.000
where: short stacking energy: -195.296
Base-Backbone interact. energy: -0.055
local terms energy: -198.430607
where:
bonds (distance) C4'-P energy: -34.358
bonds (distance) P-C4' energy: -41.642
flat angles C4'-P-C4' energy: -37.661
flat angles P-C4'-P energy: -24.439
tors. eta vs tors. theta energy: -60.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -594.462348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.462348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.462348 (E_RNA)
where:
Base-Base interactions energy: -402.806
where: short stacking energy: -193.901
Base-Backbone interact. energy: -1.275
local terms energy: -190.381606
where:
bonds (distance) C4'-P energy: -30.658
bonds (distance) P-C4' energy: -38.484
flat angles C4'-P-C4' energy: -41.517
flat angles P-C4'-P energy: -25.252
tors. eta vs tors. theta energy: -54.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -553.392989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.392989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.392989 (E_RNA)
where:
Base-Base interactions energy: -367.329
where: short stacking energy: -147.832
Base-Backbone interact. energy: 1.223
local terms energy: -187.287770
where:
bonds (distance) C4'-P energy: -30.507
bonds (distance) P-C4' energy: -38.942
flat angles C4'-P-C4' energy: -39.606
flat angles P-C4'-P energy: -28.445
tors. eta vs tors. theta energy: -49.788
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: 7
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -556.214266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.214266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.214266 (E_RNA)
where:
Base-Base interactions energy: -362.777
where: short stacking energy: -169.349
Base-Backbone interact. energy: 0.112
local terms energy: -193.550099
where:
bonds (distance) C4'-P energy: -37.591
bonds (distance) P-C4' energy: -40.580
flat angles C4'-P-C4' energy: -40.934
flat angles P-C4'-P energy: -25.359
tors. eta vs tors. theta energy: -49.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -220.683556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.683556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.683556 (E_RNA)
where:
Base-Base interactions energy: -94.448
where: short stacking energy: -60.306
Base-Backbone interact. energy: 4.003
local terms energy: -130.238010
where:
bonds (distance) C4'-P energy: -39.324
bonds (distance) P-C4' energy: -33.051
flat angles C4'-P-C4' energy: -38.551
flat angles P-C4'-P energy: -19.952
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: 8, replica: 3
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -204.400354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.400354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.400354 (E_RNA)
where:
Base-Base interactions energy: -78.497
where: short stacking energy: -53.315
Base-Backbone interact. energy: 0.790
local terms energy: -126.693478
where:
bonds (distance) C4'-P energy: -35.241
bonds (distance) P-C4' energy: -37.546
flat angles C4'-P-C4' energy: -36.490
flat angles P-C4'-P energy: -17.152
tors. eta vs tors. theta energy: -0.264
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: 172
Temperature: 1.300000
Total energy: -173.911510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.911510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.911510 (E_RNA)
where:
Base-Base interactions energy: -67.382
where: short stacking energy: -35.810
Base-Backbone interact. energy: 0.925
local terms energy: -107.454133
where:
bonds (distance) C4'-P energy: -27.886
bonds (distance) P-C4' energy: -35.010
flat angles C4'-P-C4' energy: -35.085
flat angles P-C4'-P energy: -25.437
tors. eta vs tors. theta energy: 15.964
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: 1
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -170.411448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.411448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.411448 (E_RNA)
where:
Base-Base interactions energy: -50.094
where: short stacking energy: -51.944
Base-Backbone interact. energy: 1.848
local terms energy: -122.165680
where:
bonds (distance) C4'-P energy: -37.823
bonds (distance) P-C4' energy: -29.557
flat angles C4'-P-C4' energy: -36.338
flat angles P-C4'-P energy: -16.569
tors. eta vs tors. theta energy: -1.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -683.511140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.511140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.511140 (E_RNA)
where:
Base-Base interactions energy: -457.103
where: short stacking energy: -211.803
Base-Backbone interact. energy: -1.672
local terms energy: -224.736706
where:
bonds (distance) C4'-P energy: -42.228
bonds (distance) P-C4' energy: -40.435
flat angles C4'-P-C4' energy: -41.517
flat angles P-C4'-P energy: -34.662
tors. eta vs tors. theta energy: -65.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -657.596224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.596224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.596224 (E_RNA)
where:
Base-Base interactions energy: -434.748
where: short stacking energy: -200.648
Base-Backbone interact. energy: -0.305
local terms energy: -222.543564
where:
bonds (distance) C4'-P energy: -39.036
bonds (distance) P-C4' energy: -43.054
flat angles C4'-P-C4' energy: -41.984
flat angles P-C4'-P energy: -34.069
tors. eta vs tors. theta energy: -64.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -640.493308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.493308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.493308 (E_RNA)
where:
Base-Base interactions energy: -413.307
where: short stacking energy: -194.520
Base-Backbone interact. energy: -2.668
local terms energy: -224.518782
where:
bonds (distance) C4'-P energy: -34.465
bonds (distance) P-C4' energy: -35.492
flat angles C4'-P-C4' energy: -48.448
flat angles P-C4'-P energy: -39.502
tors. eta vs tors. theta energy: -66.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -593.938628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.938628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.938628 (E_RNA)
where:
Base-Base interactions energy: -380.977
where: short stacking energy: -178.967
Base-Backbone interact. energy: -0.094
local terms energy: -212.867157
where:
bonds (distance) C4'-P energy: -34.431
bonds (distance) P-C4' energy: -42.530
flat angles C4'-P-C4' energy: -43.927
flat angles P-C4'-P energy: -32.958
tors. eta vs tors. theta energy: -59.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -588.618072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.618072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.618072 (E_RNA)
where:
Base-Base interactions energy: -392.674
where: short stacking energy: -180.241
Base-Backbone interact. energy: -0.702
local terms energy: -195.241922
where:
bonds (distance) C4'-P energy: -30.243
bonds (distance) P-C4' energy: -37.331
flat angles C4'-P-C4' energy: -45.536
flat angles P-C4'-P energy: -31.335
tors. eta vs tors. theta energy: -50.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -549.880221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.880221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.880221 (E_RNA)
where:
Base-Base interactions energy: -362.729
where: short stacking energy: -170.883
Base-Backbone interact. energy: 1.370
local terms energy: -188.520641
where:
bonds (distance) C4'-P energy: -39.899
bonds (distance) P-C4' energy: -34.123
flat angles C4'-P-C4' energy: -42.871
flat angles P-C4'-P energy: -26.526
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: 7, replica: 10
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -228.063051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.063051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.063051 (E_RNA)
where:
Base-Base interactions energy: -105.950
where: short stacking energy: -71.531
Base-Backbone interact. energy: 0.593
local terms energy: -122.706037
where:
bonds (distance) C4'-P energy: -38.403
bonds (distance) P-C4' energy: -32.496
flat angles C4'-P-C4' energy: -29.185
flat angles P-C4'-P energy: -21.981
tors. eta vs tors. theta energy: -0.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -214.068892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.068892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.068892 (E_RNA)
where:
Base-Base interactions energy: -72.021
where: short stacking energy: -55.951
Base-Backbone interact. energy: 0.803
local terms energy: -142.850361
where:
bonds (distance) C4'-P energy: -33.946
bonds (distance) P-C4' energy: -42.176
flat angles C4'-P-C4' energy: -35.279
flat angles P-C4'-P energy: -22.904
tors. eta vs tors. theta energy: -8.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -186.408149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.408149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.408149 (E_RNA)
where:
Base-Base interactions energy: -78.311
where: short stacking energy: -41.536
Base-Backbone interact. energy: 1.238
local terms energy: -109.335564
where:
bonds (distance) C4'-P energy: -36.685
bonds (distance) P-C4' energy: -34.064
flat angles C4'-P-C4' energy: -26.629
flat angles P-C4'-P energy: -17.948
tors. eta vs tors. theta energy: 5.991
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: 1
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -171.164334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.164334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.164334 (E_RNA)
where:
Base-Base interactions energy: -64.650
where: short stacking energy: -62.418
Base-Backbone interact. energy: -0.039
local terms energy: -106.475675
where:
bonds (distance) C4'-P energy: -29.600
bonds (distance) P-C4' energy: -41.993
flat angles C4'-P-C4' energy: -20.059
flat angles P-C4'-P energy: -11.916
tors. eta vs tors. theta energy: -2.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -680.784964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.784964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.784964 (E_RNA)
where:
Base-Base interactions energy: -465.099
where: short stacking energy: -213.250
Base-Backbone interact. energy: 0.135
local terms energy: -215.820049
where:
bonds (distance) C4'-P energy: -39.345
bonds (distance) P-C4' energy: -38.750
flat angles C4'-P-C4' energy: -45.598
flat angles P-C4'-P energy: -27.464
tors. eta vs tors. theta energy: -64.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -663.255070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.255070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.255070 (E_RNA)
where:
Base-Base interactions energy: -447.889
where: short stacking energy: -203.033
Base-Backbone interact. energy: -0.321
local terms energy: -215.045177
where:
bonds (distance) C4'-P energy: -36.100
bonds (distance) P-C4' energy: -42.726
flat angles C4'-P-C4' energy: -43.470
flat angles P-C4'-P energy: -32.232
tors. eta vs tors. theta energy: -60.517
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: 6
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -629.257345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.257345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.257345 (E_RNA)
where:
Base-Base interactions energy: -411.917
where: short stacking energy: -192.024
Base-Backbone interact. energy: -0.594
local terms energy: -216.746405
where:
bonds (distance) C4'-P energy: -47.818
bonds (distance) P-C4' energy: -37.033
flat angles C4'-P-C4' energy: -42.620
flat angles P-C4'-P energy: -28.822
tors. eta vs tors. theta energy: -60.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -594.227486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.227486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.227486 (E_RNA)
where:
Base-Base interactions energy: -394.993
where: short stacking energy: -182.677
Base-Backbone interact. energy: 0.290
local terms energy: -199.523940
where:
bonds (distance) C4'-P energy: -31.531
bonds (distance) P-C4' energy: -36.056
flat angles C4'-P-C4' energy: -42.308
flat angles P-C4'-P energy: -31.579
tors. eta vs tors. theta energy: -58.050
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: 2
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -555.775371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.775371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.775371 (E_RNA)
where:
Base-Base interactions energy: -371.265
where: short stacking energy: -173.777
Base-Backbone interact. energy: -1.015
local terms energy: -183.495752
where:
bonds (distance) C4'-P energy: -31.759
bonds (distance) P-C4' energy: -35.417
flat angles C4'-P-C4' energy: -42.252
flat angles P-C4'-P energy: -20.347
tors. eta vs tors. theta energy: -53.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -554.022396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.022396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.022396 (E_RNA)
where:
Base-Base interactions energy: -372.584
where: short stacking energy: -178.716
Base-Backbone interact. energy: -0.629
local terms energy: -180.809592
where:
bonds (distance) C4'-P energy: -25.761
bonds (distance) P-C4' energy: -28.306
flat angles C4'-P-C4' energy: -42.852
flat angles P-C4'-P energy: -29.759
tors. eta vs tors. theta energy: -54.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -240.696078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.696078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.696078 (E_RNA)
where:
Base-Base interactions energy: -107.939
where: short stacking energy: -86.972
Base-Backbone interact. energy: 1.219
local terms energy: -133.976400
where:
bonds (distance) C4'-P energy: -36.782
bonds (distance) P-C4' energy: -36.656
flat angles C4'-P-C4' energy: -27.558
flat angles P-C4'-P energy: -22.297
tors. eta vs tors. theta energy: -10.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -218.709953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.709953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.709953 (E_RNA)
where:
Base-Base interactions energy: -90.270
where: short stacking energy: -49.421
Base-Backbone interact. energy: 3.494
local terms energy: -131.933452
where:
bonds (distance) C4'-P energy: -38.629
bonds (distance) P-C4' energy: -40.286
flat angles C4'-P-C4' energy: -36.642
flat angles P-C4'-P energy: -8.346
tors. eta vs tors. theta energy: -8.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -183.215544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.215544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.215544 (E_RNA)
where:
Base-Base interactions energy: -64.444
where: short stacking energy: -44.395
Base-Backbone interact. energy: -0.490
local terms energy: -118.282007
where:
bonds (distance) C4'-P energy: -31.790
bonds (distance) P-C4' energy: -38.195
flat angles C4'-P-C4' energy: -29.650
flat angles P-C4'-P energy: -20.283
tors. eta vs tors. theta energy: 1.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -167.659521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.659521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.659521 (E_RNA)
where:
Base-Base interactions energy: -72.194
where: short stacking energy: -65.948
Base-Backbone interact. energy: -0.799
local terms energy: -94.666410
where:
bonds (distance) C4'-P energy: -34.169
bonds (distance) P-C4' energy: -28.500
flat angles C4'-P-C4' energy: -11.564
flat angles P-C4'-P energy: -17.083
tors. eta vs tors. theta energy: -3.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -679.177635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.177635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.177635 (E_RNA)
where:
Base-Base interactions energy: -450.806
where: short stacking energy: -206.310
Base-Backbone interact. energy: -2.074
local terms energy: -226.297442
where:
bonds (distance) C4'-P energy: -39.198
bonds (distance) P-C4' energy: -40.972
flat angles C4'-P-C4' energy: -45.827
flat angles P-C4'-P energy: -30.629
tors. eta vs tors. theta energy: -69.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -645.260827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.260827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.260827 (E_RNA)
where:
Base-Base interactions energy: -418.272
where: short stacking energy: -197.630
Base-Backbone interact. energy: -1.065
local terms energy: -225.923960
where:
bonds (distance) C4'-P energy: -42.615
bonds (distance) P-C4' energy: -42.651
flat angles C4'-P-C4' energy: -43.504
flat angles P-C4'-P energy: -30.283
tors. eta vs tors. theta energy: -66.871
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: 3, replica: 9
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -633.599386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.599386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.599386 (E_RNA)
where:
Base-Base interactions energy: -427.052
where: short stacking energy: -194.851
Base-Backbone interact. energy: -1.858
local terms energy: -204.690168
where:
bonds (distance) C4'-P energy: -36.733
bonds (distance) P-C4' energy: -32.750
flat angles C4'-P-C4' energy: -41.485
flat angles P-C4'-P energy: -30.257
tors. eta vs tors. theta energy: -63.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -573.982341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.982341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.982341 (E_RNA)
where:
Base-Base interactions energy: -387.126
where: short stacking energy: -155.607
Base-Backbone interact. energy: 0.424
local terms energy: -187.280680
where:
bonds (distance) C4'-P energy: -38.978
bonds (distance) P-C4' energy: -39.259
flat angles C4'-P-C4' energy: -40.332
flat angles P-C4'-P energy: -23.618
tors. eta vs tors. theta energy: -45.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -585.024248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.024248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.024248 (E_RNA)
where:
Base-Base interactions energy: -391.275
where: short stacking energy: -179.209
Base-Backbone interact. energy: -0.276
local terms energy: -193.473261
where:
bonds (distance) C4'-P energy: -36.230
bonds (distance) P-C4' energy: -33.306
flat angles C4'-P-C4' energy: -38.302
flat angles P-C4'-P energy: -25.657
tors. eta vs tors. theta energy: -59.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -538.104546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.104546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.104546 (E_RNA)
where:
Base-Base interactions energy: -366.040
where: short stacking energy: -171.720
Base-Backbone interact. energy: 1.492
local terms energy: -173.555753
where:
bonds (distance) C4'-P energy: -34.431
bonds (distance) P-C4' energy: -30.072
flat angles C4'-P-C4' energy: -33.683
flat angles P-C4'-P energy: -29.633
tors. eta vs tors. theta energy: -45.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -253.023266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.023266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.023266 (E_RNA)
where:
Base-Base interactions energy: -105.923
where: short stacking energy: -60.658
Base-Backbone interact. energy: -0.296
local terms energy: -146.804584
where:
bonds (distance) C4'-P energy: -38.279
bonds (distance) P-C4' energy: -42.832
flat angles C4'-P-C4' energy: -29.885
flat angles P-C4'-P energy: -28.752
tors. eta vs tors. theta energy: -7.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -196.665517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.665517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.665517 (E_RNA)
where:
Base-Base interactions energy: -57.926
where: short stacking energy: -49.299
Base-Backbone interact. energy: 0.306
local terms energy: -139.045410
where:
bonds (distance) C4'-P energy: -29.383
bonds (distance) P-C4' energy: -47.740
flat angles C4'-P-C4' energy: -32.375
flat angles P-C4'-P energy: -22.782
tors. eta vs tors. theta energy: -6.766
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: 5
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -176.983312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.983312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.983312 (E_RNA)
where:
Base-Base interactions energy: -62.814
where: short stacking energy: -62.216
Base-Backbone interact. energy: 1.502
local terms energy: -115.670929
where:
bonds (distance) C4'-P energy: -32.901
bonds (distance) P-C4' energy: -37.964
flat angles C4'-P-C4' energy: -31.168
flat angles P-C4'-P energy: -9.121
tors. eta vs tors. theta energy: -4.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -168.832372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.832372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.832372 (E_RNA)
where:
Base-Base interactions energy: -59.540
where: short stacking energy: -43.083
Base-Backbone interact. energy: 0.324
local terms energy: -109.616864
where:
bonds (distance) C4'-P energy: -23.666
bonds (distance) P-C4' energy: -36.572
flat angles C4'-P-C4' energy: -31.891
flat angles P-C4'-P energy: -21.233
tors. eta vs tors. theta energy: 3.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -672.846812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.846812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.846812 (E_RNA)
where:
Base-Base interactions energy: -454.577
where: short stacking energy: -207.776
Base-Backbone interact. energy: -0.413
local terms energy: -217.856659
where:
bonds (distance) C4'-P energy: -39.285
bonds (distance) P-C4' energy: -39.385
flat angles C4'-P-C4' energy: -41.504
flat angles P-C4'-P energy: -31.670
tors. eta vs tors. theta energy: -66.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -653.492065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.492065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.492065 (E_RNA)
where:
Base-Base interactions energy: -434.155
where: short stacking energy: -200.576
Base-Backbone interact. energy: -0.289
local terms energy: -219.047831
where:
bonds (distance) C4'-P energy: -38.076
bonds (distance) P-C4' energy: -39.317
flat angles C4'-P-C4' energy: -50.458
flat angles P-C4'-P energy: -31.387
tors. eta vs tors. theta energy: -59.811
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: 9
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -626.101212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.101212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.101212 (E_RNA)
where:
Base-Base interactions energy: -418.444
where: short stacking energy: -183.002
Base-Backbone interact. energy: -1.725
local terms energy: -205.932009
where:
bonds (distance) C4'-P energy: -40.200
bonds (distance) P-C4' energy: -34.468
flat angles C4'-P-C4' energy: -46.068
flat angles P-C4'-P energy: -27.767
tors. eta vs tors. theta energy: -57.429
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: 4, replica: 2
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -571.984274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.984274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.984274 (E_RNA)
where:
Base-Base interactions energy: -378.522
where: short stacking energy: -160.928
Base-Backbone interact. energy: -0.906
local terms energy: -192.555972
where:
bonds (distance) C4'-P energy: -40.124
bonds (distance) P-C4' energy: -39.653
flat angles C4'-P-C4' energy: -46.134
flat angles P-C4'-P energy: -22.103
tors. eta vs tors. theta energy: -44.541
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: 7
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -580.748110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.748110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.748110 (E_RNA)
where:
Base-Base interactions energy: -386.317
where: short stacking energy: -177.295
Base-Backbone interact. energy: -1.132
local terms energy: -193.299069
where:
bonds (distance) C4'-P energy: -38.531
bonds (distance) P-C4' energy: -39.625
flat angles C4'-P-C4' energy: -36.448
flat angles P-C4'-P energy: -29.278
tors. eta vs tors. theta energy: -49.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -526.616973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.616973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.616973 (E_RNA)
where:
Base-Base interactions energy: -332.479
where: short stacking energy: -157.398
Base-Backbone interact. energy: -0.423
local terms energy: -193.715028
where:
bonds (distance) C4'-P energy: -41.471
bonds (distance) P-C4' energy: -32.352
flat angles C4'-P-C4' energy: -37.088
flat angles P-C4'-P energy: -31.101
tors. eta vs tors. theta energy: -51.703
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: 3
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -216.964035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.964035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.964035 (E_RNA)
where:
Base-Base interactions energy: -86.501
where: short stacking energy: -62.334
Base-Backbone interact. energy: -1.867
local terms energy: -128.596017
where:
bonds (distance) C4'-P energy: -37.451
bonds (distance) P-C4' energy: -41.386
flat angles C4'-P-C4' energy: -23.413
flat angles P-C4'-P energy: -28.228
tors. eta vs tors. theta energy: 1.883
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: 10
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -207.353278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.353278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.353278 (E_RNA)
where:
Base-Base interactions energy: -75.078
where: short stacking energy: -70.807
Base-Backbone interact. energy: -0.152
local terms energy: -132.122834
where:
bonds (distance) C4'-P energy: -34.203
bonds (distance) P-C4' energy: -39.165
flat angles C4'-P-C4' energy: -33.047
flat angles P-C4'-P energy: -22.264
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: 9, replica: 5
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -180.774305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.774305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.774305 (E_RNA)
where:
Base-Base interactions energy: -66.824
where: short stacking energy: -46.483
Base-Backbone interact. energy: -0.877
local terms energy: -113.073273
where:
bonds (distance) C4'-P energy: -30.072
bonds (distance) P-C4' energy: -47.203
flat angles C4'-P-C4' energy: -25.883
flat angles P-C4'-P energy: -16.293
tors. eta vs tors. theta energy: 6.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -167.240758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.240758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.240758 (E_RNA)
where:
Base-Base interactions energy: -59.754
where: short stacking energy: -36.121
Base-Backbone interact. energy: 0.013
local terms energy: -107.499774
where:
bonds (distance) C4'-P energy: -41.116
bonds (distance) P-C4' energy: -30.276
flat angles C4'-P-C4' energy: -23.855
flat angles P-C4'-P energy: -18.005
tors. eta vs tors. theta energy: 5.751
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: 4
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -683.090530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.090530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.090530 (E_RNA)
where:
Base-Base interactions energy: -450.103
where: short stacking energy: -216.697
Base-Backbone interact. energy: -0.678
local terms energy: -232.309768
where:
bonds (distance) C4'-P energy: -40.822
bonds (distance) P-C4' energy: -46.688
flat angles C4'-P-C4' energy: -49.652
flat angles P-C4'-P energy: -27.600
tors. eta vs tors. theta energy: -67.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -658.500117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.500117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.500117 (E_RNA)
where:
Base-Base interactions energy: -439.150
where: short stacking energy: -206.504
Base-Backbone interact. energy: 0.559
local terms energy: -219.908994
where:
bonds (distance) C4'-P energy: -39.995
bonds (distance) P-C4' energy: -37.267
flat angles C4'-P-C4' energy: -45.292
flat angles P-C4'-P energy: -32.848
tors. eta vs tors. theta energy: -64.506
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: 9
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -621.270785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.270785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.270785 (E_RNA)
where:
Base-Base interactions energy: -414.316
where: short stacking energy: -197.114
Base-Backbone interact. energy: -0.182
local terms energy: -206.772726
where:
bonds (distance) C4'-P energy: -41.072
bonds (distance) P-C4' energy: -36.223
flat angles C4'-P-C4' energy: -36.719
flat angles P-C4'-P energy: -29.541
tors. eta vs tors. theta energy: -63.218
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: 4, replica: 2
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -579.460951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.460951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.460951 (E_RNA)
where:
Base-Base interactions energy: -388.974
where: short stacking energy: -170.308
Base-Backbone interact. energy: -0.162
local terms energy: -190.324106
where:
bonds (distance) C4'-P energy: -37.295
bonds (distance) P-C4' energy: -42.494
flat angles C4'-P-C4' energy: -33.008
flat angles P-C4'-P energy: -31.404
tors. eta vs tors. theta energy: -46.124
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: 7
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -572.889420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.889420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.889420 (E_RNA)
where:
Base-Base interactions energy: -362.064
where: short stacking energy: -156.196
Base-Backbone interact. energy: -0.257
local terms energy: -210.568806
where:
bonds (distance) C4'-P energy: -42.259
bonds (distance) P-C4' energy: -42.201
flat angles C4'-P-C4' energy: -41.447
flat angles P-C4'-P energy: -30.191
tors. eta vs tors. theta energy: -54.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -505.721054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.721054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.721054 (E_RNA)
where:
Base-Base interactions energy: -321.128
where: short stacking energy: -152.762
Base-Backbone interact. energy: -0.447
local terms energy: -184.145503
where:
bonds (distance) C4'-P energy: -31.891
bonds (distance) P-C4' energy: -43.621
flat angles C4'-P-C4' energy: -40.428
flat angles P-C4'-P energy: -28.040
tors. eta vs tors. theta energy: -40.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -231.512020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.512020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.512020 (E_RNA)
where:
Base-Base interactions energy: -106.230
where: short stacking energy: -77.720
Base-Backbone interact. energy: -0.079
local terms energy: -125.202824
where:
bonds (distance) C4'-P energy: -27.213
bonds (distance) P-C4' energy: -37.520
flat angles C4'-P-C4' energy: -32.812
flat angles P-C4'-P energy: -18.926
tors. eta vs tors. theta energy: -8.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -205.195956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.195956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.195956 (E_RNA)
where:
Base-Base interactions energy: -77.355
where: short stacking energy: -65.632
Base-Backbone interact. energy: -0.748
local terms energy: -127.092556
where:
bonds (distance) C4'-P energy: -41.457
bonds (distance) P-C4' energy: -34.593
flat angles C4'-P-C4' energy: -31.429
flat angles P-C4'-P energy: -14.952
tors. eta vs tors. theta energy: -4.661
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: 177
Temperature: 1.300000
Total energy: -178.430387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.430387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.430387 (E_RNA)
where:
Base-Base interactions energy: -67.862
where: short stacking energy: -56.579
Base-Backbone interact. energy: 0.728
local terms energy: -111.296481
where:
bonds (distance) C4'-P energy: -32.607
bonds (distance) P-C4' energy: -29.593
flat angles C4'-P-C4' energy: -29.860
flat angles P-C4'-P energy: -12.573
tors. eta vs tors. theta energy: -6.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -172.248314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.248314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.248314 (E_RNA)
where:
Base-Base interactions energy: -64.978
where: short stacking energy: -49.331
Base-Backbone interact. energy: 1.042
local terms energy: -108.311591
where:
bonds (distance) C4'-P energy: -27.707
bonds (distance) P-C4' energy: -32.333
flat angles C4'-P-C4' energy: -26.712
flat angles P-C4'-P energy: -21.544
tors. eta vs tors. theta energy: -0.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -653.643900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.643900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.643900 (E_RNA)
where:
Base-Base interactions energy: -441.202
where: short stacking energy: -199.627
Base-Backbone interact. energy: -0.944
local terms energy: -211.498672
where:
bonds (distance) C4'-P energy: -41.226
bonds (distance) P-C4' energy: -35.752
flat angles C4'-P-C4' energy: -45.259
flat angles P-C4'-P energy: -26.301
tors. eta vs tors. theta energy: -62.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -644.490151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.490151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.490151 (E_RNA)
where:
Base-Base interactions energy: -429.538
where: short stacking energy: -201.433
Base-Backbone interact. energy: -1.072
local terms energy: -213.879736
where:
bonds (distance) C4'-P energy: -39.195
bonds (distance) P-C4' energy: -35.721
flat angles C4'-P-C4' energy: -50.949
flat angles P-C4'-P energy: -27.968
tors. eta vs tors. theta energy: -60.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -596.378660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.378660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.378660 (E_RNA)
where:
Base-Base interactions energy: -399.269
where: short stacking energy: -173.985
Base-Backbone interact. energy: -0.407
local terms energy: -196.703273
where:
bonds (distance) C4'-P energy: -37.291
bonds (distance) P-C4' energy: -36.923
flat angles C4'-P-C4' energy: -39.993
flat angles P-C4'-P energy: -27.094
tors. eta vs tors. theta energy: -55.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -595.114937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.114937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.114937 (E_RNA)
where:
Base-Base interactions energy: -386.207
where: short stacking energy: -174.708
Base-Backbone interact. energy: -0.325
local terms energy: -208.583077
where:
bonds (distance) C4'-P energy: -39.114
bonds (distance) P-C4' energy: -40.863
flat angles C4'-P-C4' energy: -46.019
flat angles P-C4'-P energy: -31.809
tors. eta vs tors. theta energy: -50.778
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: 5, replica: 7
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -562.143780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.143780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.143780 (E_RNA)
where:
Base-Base interactions energy: -365.633
where: short stacking energy: -166.627
Base-Backbone interact. energy: -1.251
local terms energy: -195.260291
where:
bonds (distance) C4'-P energy: -35.336
bonds (distance) P-C4' energy: -33.333
flat angles C4'-P-C4' energy: -45.169
flat angles P-C4'-P energy: -30.069
tors. eta vs tors. theta energy: -51.353
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: 178
Temperature: 1.150000
Total energy: -538.172123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.172123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.172123 (E_RNA)
where:
Base-Base interactions energy: -347.551
where: short stacking energy: -166.644
Base-Backbone interact. energy: -0.665
local terms energy: -189.956037
where:
bonds (distance) C4'-P energy: -35.010
bonds (distance) P-C4' energy: -34.259
flat angles C4'-P-C4' energy: -40.707
flat angles P-C4'-P energy: -29.594
tors. eta vs tors. theta energy: -50.386
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: 3
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -224.415216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.415216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.415216 (E_RNA)
where:
Base-Base interactions energy: -90.699
where: short stacking energy: -83.811
Base-Backbone interact. energy: -0.223
local terms energy: -133.493324
where:
bonds (distance) C4'-P energy: -35.817
bonds (distance) P-C4' energy: -34.716
flat angles C4'-P-C4' energy: -24.415
flat angles P-C4'-P energy: -25.298
tors. eta vs tors. theta energy: -13.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -183.491123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.491123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.491123 (E_RNA)
where:
Base-Base interactions energy: -68.514
where: short stacking energy: -66.438
Base-Backbone interact. energy: 1.568
local terms energy: -116.545806
where:
bonds (distance) C4'-P energy: -28.442
bonds (distance) P-C4' energy: -32.182
flat angles C4'-P-C4' energy: -32.569
flat angles P-C4'-P energy: -22.531
tors. eta vs tors. theta energy: -0.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -176.390771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.390771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.390771 (E_RNA)
where:
Base-Base interactions energy: -60.024
where: short stacking energy: -48.834
Base-Backbone interact. energy: -1.154
local terms energy: -115.212574
where:
bonds (distance) C4'-P energy: -33.764
bonds (distance) P-C4' energy: -34.492
flat angles C4'-P-C4' energy: -25.402
flat angles P-C4'-P energy: -22.958
tors. eta vs tors. theta energy: 1.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -183.839499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.839499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.839499 (E_RNA)
where:
Base-Base interactions energy: -50.122
where: short stacking energy: -45.308
Base-Backbone interact. energy: -0.498
local terms energy: -133.219979
where:
bonds (distance) C4'-P energy: -37.474
bonds (distance) P-C4' energy: -42.974
flat angles C4'-P-C4' energy: -34.191
flat angles P-C4'-P energy: -17.566
tors. eta vs tors. theta energy: -1.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -677.621818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.621818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.621818 (E_RNA)
where:
Base-Base interactions energy: -448.936
where: short stacking energy: -193.622
Base-Backbone interact. energy: -1.067
local terms energy: -227.619641
where:
bonds (distance) C4'-P energy: -36.400
bonds (distance) P-C4' energy: -47.265
flat angles C4'-P-C4' energy: -46.128
flat angles P-C4'-P energy: -29.000
tors. eta vs tors. theta energy: -68.828
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: 2, replica: 6
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -655.257491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.257491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.257491 (E_RNA)
where:
Base-Base interactions energy: -432.225
where: short stacking energy: -191.158
Base-Backbone interact. energy: -0.896
local terms energy: -222.135975
where:
bonds (distance) C4'-P energy: -38.572
bonds (distance) P-C4' energy: -37.399
flat angles C4'-P-C4' energy: -46.885
flat angles P-C4'-P energy: -36.781
tors. eta vs tors. theta energy: -62.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -604.986878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.986878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.986878 (E_RNA)
where:
Base-Base interactions energy: -415.530
where: short stacking energy: -168.355
Base-Backbone interact. energy: 0.553
local terms energy: -190.009650
where:
bonds (distance) C4'-P energy: -38.013
bonds (distance) P-C4' energy: -34.821
flat angles C4'-P-C4' energy: -39.226
flat angles P-C4'-P energy: -27.931
tors. eta vs tors. theta energy: -50.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -615.661869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.661869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.661869 (E_RNA)
where:
Base-Base interactions energy: -408.848
where: short stacking energy: -191.902
Base-Backbone interact. energy: 0.347
local terms energy: -207.160835
where:
bonds (distance) C4'-P energy: -36.366
bonds (distance) P-C4' energy: -41.533
flat angles C4'-P-C4' energy: -43.069
flat angles P-C4'-P energy: -24.073
tors. eta vs tors. theta energy: -62.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -566.506397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.506397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.506397 (E_RNA)
where:
Base-Base interactions energy: -368.994
where: short stacking energy: -170.282
Base-Backbone interact. energy: 0.060
local terms energy: -197.571728
where:
bonds (distance) C4'-P energy: -38.104
bonds (distance) P-C4' energy: -40.330
flat angles C4'-P-C4' energy: -45.294
flat angles P-C4'-P energy: -27.089
tors. eta vs tors. theta energy: -46.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -548.018291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.018291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.018291 (E_RNA)
where:
Base-Base interactions energy: -356.411
where: short stacking energy: -168.870
Base-Backbone interact. energy: -0.066
local terms energy: -191.541513
where:
bonds (distance) C4'-P energy: -37.519
bonds (distance) P-C4' energy: -39.639
flat angles C4'-P-C4' energy: -40.433
flat angles P-C4'-P energy: -22.663
tors. eta vs tors. theta energy: -51.287
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: 3
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -207.241712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.241712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.241712 (E_RNA)
where:
Base-Base interactions energy: -74.030
where: short stacking energy: -71.799
Base-Backbone interact. energy: -0.676
local terms energy: -132.535444
where:
bonds (distance) C4'-P energy: -27.431
bonds (distance) P-C4' energy: -42.587
flat angles C4'-P-C4' energy: -28.788
flat angles P-C4'-P energy: -24.927
tors. eta vs tors. theta energy: -8.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -200.604320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.604320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.604320 (E_RNA)
where:
Base-Base interactions energy: -77.652
where: short stacking energy: -44.547
Base-Backbone interact. energy: 1.263
local terms energy: -124.214979
where:
bonds (distance) C4'-P energy: -34.928
bonds (distance) P-C4' energy: -38.371
flat angles C4'-P-C4' energy: -31.458
flat angles P-C4'-P energy: -19.426
tors. eta vs tors. theta energy: -0.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -192.487796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.487796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.487796 (E_RNA)
where:
Base-Base interactions energy: -78.164
where: short stacking energy: -54.192
Base-Backbone interact. energy: -0.402
local terms energy: -113.922058
where:
bonds (distance) C4'-P energy: -33.076
bonds (distance) P-C4' energy: -28.586
flat angles C4'-P-C4' energy: -24.320
flat angles P-C4'-P energy: -26.225
tors. eta vs tors. theta energy: -1.715
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: 5
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -161.395622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.395622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.395622 (E_RNA)
where:
Base-Base interactions energy: -50.594
where: short stacking energy: -46.882
Base-Backbone interact. energy: -0.805
local terms energy: -109.996715
where:
bonds (distance) C4'-P energy: -37.744
bonds (distance) P-C4' energy: -35.603
flat angles C4'-P-C4' energy: -28.116
flat angles P-C4'-P energy: -18.963
tors. eta vs tors. theta energy: 10.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -682.751745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.751745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.751745 (E_RNA)
where:
Base-Base interactions energy: -464.054
where: short stacking energy: -208.641
Base-Backbone interact. energy: -1.204
local terms energy: -217.493629
where:
bonds (distance) C4'-P energy: -39.130
bonds (distance) P-C4' energy: -39.222
flat angles C4'-P-C4' energy: -46.600
flat angles P-C4'-P energy: -28.971
tors. eta vs tors. theta energy: -63.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -640.184004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.184004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.184004 (E_RNA)
where:
Base-Base interactions energy: -423.712
where: short stacking energy: -188.781
Base-Backbone interact. energy: -0.156
local terms energy: -216.316318
where:
bonds (distance) C4'-P energy: -39.194
bonds (distance) P-C4' energy: -38.338
flat angles C4'-P-C4' energy: -47.630
flat angles P-C4'-P energy: -33.679
tors. eta vs tors. theta energy: -57.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -632.500586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.500586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.500586 (E_RNA)
where:
Base-Base interactions energy: -424.479
where: short stacking energy: -189.927
Base-Backbone interact. energy: 1.054
local terms energy: -209.075074
where:
bonds (distance) C4'-P energy: -40.241
bonds (distance) P-C4' energy: -36.884
flat angles C4'-P-C4' energy: -41.117
flat angles P-C4'-P energy: -30.633
tors. eta vs tors. theta energy: -60.201
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: 4, replica: 2
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -575.658066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.658066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.658066 (E_RNA)
where:
Base-Base interactions energy: -386.698
where: short stacking energy: -165.559
Base-Backbone interact. energy: -0.270
local terms energy: -188.690188
where:
bonds (distance) C4'-P energy: -38.676
bonds (distance) P-C4' energy: -41.140
flat angles C4'-P-C4' energy: -37.118
flat angles P-C4'-P energy: -29.202
tors. eta vs tors. theta energy: -42.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -557.813031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.813031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.813031 (E_RNA)
where:
Base-Base interactions energy: -363.827
where: short stacking energy: -169.917
Base-Backbone interact. energy: -1.645
local terms energy: -192.340861
where:
bonds (distance) C4'-P energy: -41.294
bonds (distance) P-C4' energy: -37.283
flat angles C4'-P-C4' energy: -36.840
flat angles P-C4'-P energy: -30.927
tors. eta vs tors. theta energy: -45.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -532.990602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.990602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.990602 (E_RNA)
where:
Base-Base interactions energy: -345.152
where: short stacking energy: -160.798
Base-Backbone interact. energy: -0.419
local terms energy: -187.419884
where:
bonds (distance) C4'-P energy: -36.739
bonds (distance) P-C4' energy: -36.085
flat angles C4'-P-C4' energy: -34.723
flat angles P-C4'-P energy: -29.717
tors. eta vs tors. theta energy: -50.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -217.217738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.217738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.217738 (E_RNA)
where:
Base-Base interactions energy: -90.290
where: short stacking energy: -77.785
Base-Backbone interact. energy: 0.761
local terms energy: -127.688999
where:
bonds (distance) C4'-P energy: -28.024
bonds (distance) P-C4' energy: -38.273
flat angles C4'-P-C4' energy: -29.090
flat angles P-C4'-P energy: -23.648
tors. eta vs tors. theta energy: -8.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -188.645878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.645878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.645878 (E_RNA)
where:
Base-Base interactions energy: -66.693
where: short stacking energy: -54.824
Base-Backbone interact. energy: 2.482
local terms energy: -124.434380
where:
bonds (distance) C4'-P energy: -36.722
bonds (distance) P-C4' energy: -40.540
flat angles C4'-P-C4' energy: -28.623
flat angles P-C4'-P energy: -22.457
tors. eta vs tors. theta energy: 3.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -171.726301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.726301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.726301 (E_RNA)
where:
Base-Base interactions energy: -66.146
where: short stacking energy: -48.118
Base-Backbone interact. energy: 1.654
local terms energy: -107.234000
where:
bonds (distance) C4'-P energy: -33.203
bonds (distance) P-C4' energy: -35.488
flat angles C4'-P-C4' energy: -32.377
flat angles P-C4'-P energy: -15.424
tors. eta vs tors. theta energy: 9.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -175.593406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.593406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.593406 (E_RNA)
where:
Base-Base interactions energy: -45.558
where: short stacking energy: -44.326
Base-Backbone interact. energy: 0.842
local terms energy: -130.877425
where:
bonds (distance) C4'-P energy: -35.412
bonds (distance) P-C4' energy: -31.214
flat angles C4'-P-C4' energy: -32.795
flat angles P-C4'-P energy: -26.149
tors. eta vs tors. theta energy: -5.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -681.658841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.658841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.658841 (E_RNA)
where:
Base-Base interactions energy: -465.834
where: short stacking energy: -208.358
Base-Backbone interact. energy: -1.058
local terms energy: -214.766738
where:
bonds (distance) C4'-P energy: -35.436
bonds (distance) P-C4' energy: -39.575
flat angles C4'-P-C4' energy: -45.649
flat angles P-C4'-P energy: -28.281
tors. eta vs tors. theta energy: -65.826
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: 9
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -623.057653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.057653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.057653 (E_RNA)
where:
Base-Base interactions energy: -418.827
where: short stacking energy: -195.657
Base-Backbone interact. energy: -0.766
local terms energy: -203.464887
where:
bonds (distance) C4'-P energy: -36.160
bonds (distance) P-C4' energy: -40.226
flat angles C4'-P-C4' energy: -41.580
flat angles P-C4'-P energy: -28.781
tors. eta vs tors. theta energy: -56.718
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: 6
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -628.785980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.785980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.785980 (E_RNA)
where:
Base-Base interactions energy: -417.468
where: short stacking energy: -185.387
Base-Backbone interact. energy: -0.469
local terms energy: -210.849925
where:
bonds (distance) C4'-P energy: -42.033
bonds (distance) P-C4' energy: -35.046
flat angles C4'-P-C4' energy: -47.164
flat angles P-C4'-P energy: -29.143
tors. eta vs tors. theta energy: -57.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -582.717905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.717905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.717905 (E_RNA)
where:
Base-Base interactions energy: -371.883
where: short stacking energy: -165.589
Base-Backbone interact. energy: -1.165
local terms energy: -209.669577
where:
bonds (distance) C4'-P energy: -33.285
bonds (distance) P-C4' energy: -44.268
flat angles C4'-P-C4' energy: -44.705
flat angles P-C4'-P energy: -30.235
tors. eta vs tors. theta energy: -57.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -558.737500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.737500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.737500 (E_RNA)
where:
Base-Base interactions energy: -357.886
where: short stacking energy: -175.784
Base-Backbone interact. energy: -0.045
local terms energy: -200.806983
where:
bonds (distance) C4'-P energy: -34.177
bonds (distance) P-C4' energy: -42.210
flat angles C4'-P-C4' energy: -41.208
flat angles P-C4'-P energy: -31.266
tors. eta vs tors. theta energy: -51.945
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: 8
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -538.604661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.604661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.604661 (E_RNA)
where:
Base-Base interactions energy: -349.602
where: short stacking energy: -186.621
Base-Backbone interact. energy: -1.115
local terms energy: -187.887230
where:
bonds (distance) C4'-P energy: -28.158
bonds (distance) P-C4' energy: -37.797
flat angles C4'-P-C4' energy: -43.339
flat angles P-C4'-P energy: -24.676
tors. eta vs tors. theta energy: -53.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -204.183699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.183699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.183699 (E_RNA)
where:
Base-Base interactions energy: -69.243
where: short stacking energy: -64.285
Base-Backbone interact. energy: 2.129
local terms energy: -137.070421
where:
bonds (distance) C4'-P energy: -37.590
bonds (distance) P-C4' energy: -37.431
flat angles C4'-P-C4' energy: -33.821
flat angles P-C4'-P energy: -24.520
tors. eta vs tors. theta energy: -3.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -203.481562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.481562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.481562 (E_RNA)
where:
Base-Base interactions energy: -84.018
where: short stacking energy: -54.507
Base-Backbone interact. energy: -1.217
local terms energy: -118.246643
where:
bonds (distance) C4'-P energy: -32.890
bonds (distance) P-C4' energy: -40.170
flat angles C4'-P-C4' energy: -20.571
flat angles P-C4'-P energy: -16.491
tors. eta vs tors. theta energy: -8.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -188.802132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.802132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.802132 (E_RNA)
where:
Base-Base interactions energy: -72.290
where: short stacking energy: -70.059
Base-Backbone interact. energy: -0.513
local terms energy: -115.999532
where:
bonds (distance) C4'-P energy: -35.823
bonds (distance) P-C4' energy: -34.950
flat angles C4'-P-C4' energy: -27.710
flat angles P-C4'-P energy: -14.375
tors. eta vs tors. theta energy: -3.142
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: 10, replica: 10
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -171.695899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.695899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.695899 (E_RNA)
where:
Base-Base interactions energy: -50.316
where: short stacking energy: -31.806
Base-Backbone interact. energy: 2.116
local terms energy: -123.495326
where:
bonds (distance) C4'-P energy: -41.494
bonds (distance) P-C4' energy: -46.670
flat angles C4'-P-C4' energy: -24.801
flat angles P-C4'-P energy: -15.277
tors. eta vs tors. theta energy: 4.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -684.136458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.136458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.136458 (E_RNA)
where:
Base-Base interactions energy: -465.286
where: short stacking energy: -200.806
Base-Backbone interact. energy: -0.789
local terms energy: -218.061536
where:
bonds (distance) C4'-P energy: -40.195
bonds (distance) P-C4' energy: -43.247
flat angles C4'-P-C4' energy: -41.845
flat angles P-C4'-P energy: -27.543
tors. eta vs tors. theta energy: -65.232
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: 2, replica: 9
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -617.545337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.545337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.545337 (E_RNA)
where:
Base-Base interactions energy: -415.752
where: short stacking energy: -186.029
Base-Backbone interact. energy: -0.777
local terms energy: -201.016731
where:
bonds (distance) C4'-P energy: -31.264
bonds (distance) P-C4' energy: -40.040
flat angles C4'-P-C4' energy: -46.238
flat angles P-C4'-P energy: -24.891
tors. eta vs tors. theta energy: -58.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -629.301147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.301147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.301147 (E_RNA)
where:
Base-Base interactions energy: -420.331
where: short stacking energy: -190.903
Base-Backbone interact. energy: -0.360
local terms energy: -208.610380
where:
bonds (distance) C4'-P energy: -43.952
bonds (distance) P-C4' energy: -36.476
flat angles C4'-P-C4' energy: -45.376
flat angles P-C4'-P energy: -25.702
tors. eta vs tors. theta energy: -57.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -593.637802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.637802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.637802 (E_RNA)
where:
Base-Base interactions energy: -394.165
where: short stacking energy: -185.264
Base-Backbone interact. energy: -0.359
local terms energy: -199.113486
where:
bonds (distance) C4'-P energy: -43.190
bonds (distance) P-C4' energy: -37.582
flat angles C4'-P-C4' energy: -40.390
flat angles P-C4'-P energy: -25.573
tors. eta vs tors. theta energy: -52.378
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: 8
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -553.809855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.809855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.809855 (E_RNA)
where:
Base-Base interactions energy: -358.574
where: short stacking energy: -156.437
Base-Backbone interact. energy: -1.074
local terms energy: -194.162449
where:
bonds (distance) C4'-P energy: -30.176
bonds (distance) P-C4' energy: -40.768
flat angles C4'-P-C4' energy: -40.787
flat angles P-C4'-P energy: -25.793
tors. eta vs tors. theta energy: -56.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -550.141385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.141385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.141385 (E_RNA)
where:
Base-Base interactions energy: -349.140
where: short stacking energy: -165.507
Base-Backbone interact. energy: -0.131
local terms energy: -200.870687
where:
bonds (distance) C4'-P energy: -35.293
bonds (distance) P-C4' energy: -41.144
flat angles C4'-P-C4' energy: -49.617
flat angles P-C4'-P energy: -24.433
tors. eta vs tors. theta energy: -50.384
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: 1
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -226.737270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.737270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.737270 (E_RNA)
where:
Base-Base interactions energy: -86.911
where: short stacking energy: -69.699
Base-Backbone interact. energy: -1.468
local terms energy: -138.357609
where:
bonds (distance) C4'-P energy: -34.629
bonds (distance) P-C4' energy: -33.804
flat angles C4'-P-C4' energy: -35.207
flat angles P-C4'-P energy: -18.080
tors. eta vs tors. theta energy: -16.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -188.818134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.818134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.818134 (E_RNA)
where:
Base-Base interactions energy: -93.422
where: short stacking energy: -55.131
Base-Backbone interact. energy: -1.245
local terms energy: -94.150486
where:
bonds (distance) C4'-P energy: -23.203
bonds (distance) P-C4' energy: -36.401
flat angles C4'-P-C4' energy: -28.735
flat angles P-C4'-P energy: -7.288
tors. eta vs tors. theta energy: 1.477
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: 3
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -182.431325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.431325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.431325 (E_RNA)
where:
Base-Base interactions energy: -61.523
where: short stacking energy: -51.235
Base-Backbone interact. energy: -0.980
local terms energy: -119.928260
where:
bonds (distance) C4'-P energy: -40.931
bonds (distance) P-C4' energy: -35.664
flat angles C4'-P-C4' energy: -23.901
flat angles P-C4'-P energy: -19.912
tors. eta vs tors. theta energy: 0.480
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: 10
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -182.931908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.931908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.931908 (E_RNA)
where:
Base-Base interactions energy: -63.203
where: short stacking energy: -52.218
Base-Backbone interact. energy: 1.401
local terms energy: -121.130501
where:
bonds (distance) C4'-P energy: -30.977
bonds (distance) P-C4' energy: -30.777
flat angles C4'-P-C4' energy: -27.800
flat angles P-C4'-P energy: -31.606
tors. eta vs tors. theta energy: 0.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -675.030832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.030832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.030832 (E_RNA)
where:
Base-Base interactions energy: -451.828
where: short stacking energy: -216.835
Base-Backbone interact. energy: 0.722
local terms energy: -223.924818
where:
bonds (distance) C4'-P energy: -34.789
bonds (distance) P-C4' energy: -43.168
flat angles C4'-P-C4' energy: -45.879
flat angles P-C4'-P energy: -28.880
tors. eta vs tors. theta energy: -71.209
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: 6
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -641.161687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.161687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.161687 (E_RNA)
where:
Base-Base interactions energy: -435.159
where: short stacking energy: -195.617
Base-Backbone interact. energy: -0.273
local terms energy: -205.728893
where:
bonds (distance) C4'-P energy: -43.185
bonds (distance) P-C4' energy: -36.564
flat angles C4'-P-C4' energy: -41.743
flat angles P-C4'-P energy: -22.112
tors. eta vs tors. theta energy: -62.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -629.498048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.498048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.498048 (E_RNA)
where:
Base-Base interactions energy: -430.018
where: short stacking energy: -193.281
Base-Backbone interact. energy: -0.108
local terms energy: -199.371652
where:
bonds (distance) C4'-P energy: -29.637
bonds (distance) P-C4' energy: -40.249
flat angles C4'-P-C4' energy: -40.696
flat angles P-C4'-P energy: -26.544
tors. eta vs tors. theta energy: -62.246
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: 4, replica: 2
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -573.887230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.887230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.887230 (E_RNA)
where:
Base-Base interactions energy: -390.255
where: short stacking energy: -170.766
Base-Backbone interact. energy: 1.811
local terms energy: -185.443648
where:
bonds (distance) C4'-P energy: -36.308
bonds (distance) P-C4' energy: -33.568
flat angles C4'-P-C4' energy: -35.771
flat angles P-C4'-P energy: -29.903
tors. eta vs tors. theta energy: -49.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -569.264903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.264903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.264903 (E_RNA)
where:
Base-Base interactions energy: -381.640
where: short stacking energy: -190.588
Base-Backbone interact. energy: -0.510
local terms energy: -187.114750
where:
bonds (distance) C4'-P energy: -27.732
bonds (distance) P-C4' energy: -27.549
flat angles C4'-P-C4' energy: -45.115
flat angles P-C4'-P energy: -27.377
tors. eta vs tors. theta energy: -59.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -540.649541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.649541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.649541 (E_RNA)
where:
Base-Base interactions energy: -348.403
where: short stacking energy: -164.737
Base-Backbone interact. energy: 0.927
local terms energy: -193.173586
where:
bonds (distance) C4'-P energy: -37.419
bonds (distance) P-C4' energy: -37.092
flat angles C4'-P-C4' energy: -39.118
flat angles P-C4'-P energy: -27.285
tors. eta vs tors. theta energy: -52.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -269.845548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.845548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.845548 (E_RNA)
where:
Base-Base interactions energy: -132.558
where: short stacking energy: -80.573
Base-Backbone interact. energy: 0.961
local terms energy: -138.248684
where:
bonds (distance) C4'-P energy: -27.195
bonds (distance) P-C4' energy: -29.970
flat angles C4'-P-C4' energy: -37.494
flat angles P-C4'-P energy: -26.011
tors. eta vs tors. theta energy: -17.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -199.959394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.959394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.959394 (E_RNA)
where:
Base-Base interactions energy: -76.464
where: short stacking energy: -75.013
Base-Backbone interact. energy: -0.704
local terms energy: -122.792201
where:
bonds (distance) C4'-P energy: -29.217
bonds (distance) P-C4' energy: -34.157
flat angles C4'-P-C4' energy: -36.103
flat angles P-C4'-P energy: -15.811
tors. eta vs tors. theta energy: -7.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -194.013725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.013725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.013725 (E_RNA)
where:
Base-Base interactions energy: -76.520
where: short stacking energy: -60.759
Base-Backbone interact. energy: -0.844
local terms energy: -116.649831
where:
bonds (distance) C4'-P energy: -35.703
bonds (distance) P-C4' energy: -34.882
flat angles C4'-P-C4' energy: -20.047
flat angles P-C4'-P energy: -15.657
tors. eta vs tors. theta energy: -10.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -170.249411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.249411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.249411 (E_RNA)
where:
Base-Base interactions energy: -54.992
where: short stacking energy: -49.187
Base-Backbone interact. energy: -0.055
local terms energy: -115.201949
where:
bonds (distance) C4'-P energy: -31.378
bonds (distance) P-C4' energy: -34.725
flat angles C4'-P-C4' energy: -28.724
flat angles P-C4'-P energy: -24.444
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: 1, replica: 6
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -653.924365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.924365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.924365 (E_RNA)
where:
Base-Base interactions energy: -433.997
where: short stacking energy: -189.558
Base-Backbone interact. energy: -0.595
local terms energy: -219.331863
where:
bonds (distance) C4'-P energy: -44.344
bonds (distance) P-C4' energy: -36.645
flat angles C4'-P-C4' energy: -48.704
flat angles P-C4'-P energy: -27.595
tors. eta vs tors. theta energy: -62.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -652.652179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.652179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.652179 (E_RNA)
where:
Base-Base interactions energy: -441.335
where: short stacking energy: -198.995
Base-Backbone interact. energy: -0.219
local terms energy: -211.098208
where:
bonds (distance) C4'-P energy: -39.082
bonds (distance) P-C4' energy: -38.303
flat angles C4'-P-C4' energy: -39.488
flat angles P-C4'-P energy: -32.197
tors. eta vs tors. theta energy: -62.028
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: 9
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -609.132825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.132825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.132825 (E_RNA)
where:
Base-Base interactions energy: -418.920
where: short stacking energy: -177.498
Base-Backbone interact. energy: -0.469
local terms energy: -189.744250
where:
bonds (distance) C4'-P energy: -40.525
bonds (distance) P-C4' energy: -31.717
flat angles C4'-P-C4' energy: -36.131
flat angles P-C4'-P energy: -28.133
tors. eta vs tors. theta energy: -53.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -572.758659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.758659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.758659 (E_RNA)
where:
Base-Base interactions energy: -382.667
where: short stacking energy: -154.421
Base-Backbone interact. energy: -0.545
local terms energy: -189.546233
where:
bonds (distance) C4'-P energy: -27.854
bonds (distance) P-C4' energy: -44.959
flat angles C4'-P-C4' energy: -47.349
flat angles P-C4'-P energy: -20.630
tors. eta vs tors. theta energy: -48.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -576.090277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.090277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.090277 (E_RNA)
where:
Base-Base interactions energy: -383.966
where: short stacking energy: -177.930
Base-Backbone interact. energy: -0.411
local terms energy: -191.713154
where:
bonds (distance) C4'-P energy: -33.619
bonds (distance) P-C4' energy: -36.129
flat angles C4'-P-C4' energy: -41.874
flat angles P-C4'-P energy: -23.997
tors. eta vs tors. theta energy: -56.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -550.078134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.078134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.078134 (E_RNA)
where:
Base-Base interactions energy: -361.066
where: short stacking energy: -164.152
Base-Backbone interact. energy: 1.986
local terms energy: -190.998205
where:
bonds (distance) C4'-P energy: -36.956
bonds (distance) P-C4' energy: -31.904
flat angles C4'-P-C4' energy: -49.178
flat angles P-C4'-P energy: -25.420
tors. eta vs tors. theta energy: -47.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -316.673909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.673909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.673909 (E_RNA)
where:
Base-Base interactions energy: -171.997
where: short stacking energy: -75.238
Base-Backbone interact. energy: -1.242
local terms energy: -143.435159
where:
bonds (distance) C4'-P energy: -33.157
bonds (distance) P-C4' energy: -44.969
flat angles C4'-P-C4' energy: -29.679
flat angles P-C4'-P energy: -21.187
tors. eta vs tors. theta energy: -14.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -209.570361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.570361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.570361 (E_RNA)
where:
Base-Base interactions energy: -75.694
where: short stacking energy: -69.298
Base-Backbone interact. energy: -0.537
local terms energy: -133.339885
where:
bonds (distance) C4'-P energy: -32.638
bonds (distance) P-C4' energy: -35.516
flat angles C4'-P-C4' energy: -32.859
flat angles P-C4'-P energy: -23.411
tors. eta vs tors. theta energy: -8.915
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: 10
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -180.962364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.962364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.962364 (E_RNA)
where:
Base-Base interactions energy: -71.425
where: short stacking energy: -39.641
Base-Backbone interact. energy: 2.668
local terms energy: -112.204609
where:
bonds (distance) C4'-P energy: -39.454
bonds (distance) P-C4' energy: -41.510
flat angles C4'-P-C4' energy: -11.772
flat angles P-C4'-P energy: -20.843
tors. eta vs tors. theta energy: 1.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -167.039795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.039795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.039795 (E_RNA)
where:
Base-Base interactions energy: -63.353
where: short stacking energy: -49.671
Base-Backbone interact. energy: 0.295
local terms energy: -103.981982
where:
bonds (distance) C4'-P energy: -28.644
bonds (distance) P-C4' energy: -37.090
flat angles C4'-P-C4' energy: -36.348
flat angles P-C4'-P energy: -9.589
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: 1, replica: 6
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -662.116114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.116114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.116114 (E_RNA)
where:
Base-Base interactions energy: -442.817
where: short stacking energy: -207.710
Base-Backbone interact. energy: -1.994
local terms energy: -217.304279
where:
bonds (distance) C4'-P energy: -36.018
bonds (distance) P-C4' energy: -36.354
flat angles C4'-P-C4' energy: -47.585
flat angles P-C4'-P energy: -33.885
tors. eta vs tors. theta energy: -63.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -657.011266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.011266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.011266 (E_RNA)
where:
Base-Base interactions energy: -446.298
where: short stacking energy: -203.462
Base-Backbone interact. energy: -0.330
local terms energy: -210.383617
where:
bonds (distance) C4'-P energy: -39.154
bonds (distance) P-C4' energy: -31.058
flat angles C4'-P-C4' energy: -44.398
flat angles P-C4'-P energy: -34.375
tors. eta vs tors. theta energy: -61.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -625.843979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.843979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.843979 (E_RNA)
where:
Base-Base interactions energy: -417.494
where: short stacking energy: -193.581
Base-Backbone interact. energy: -0.514
local terms energy: -207.836111
where:
bonds (distance) C4'-P energy: -36.251
bonds (distance) P-C4' energy: -41.685
flat angles C4'-P-C4' energy: -44.818
flat angles P-C4'-P energy: -25.777
tors. eta vs tors. theta energy: -59.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -574.045486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.045486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.045486 (E_RNA)
where:
Base-Base interactions energy: -377.995
where: short stacking energy: -192.576
Base-Backbone interact. energy: -0.117
local terms energy: -195.933108
where:
bonds (distance) C4'-P energy: -34.920
bonds (distance) P-C4' energy: -38.838
flat angles C4'-P-C4' energy: -37.127
flat angles P-C4'-P energy: -29.005
tors. eta vs tors. theta energy: -56.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -556.723900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.723900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.723900 (E_RNA)
where:
Base-Base interactions energy: -372.922
where: short stacking energy: -155.007
Base-Backbone interact. energy: -0.487
local terms energy: -183.314928
where:
bonds (distance) C4'-P energy: -34.151
bonds (distance) P-C4' energy: -28.899
flat angles C4'-P-C4' energy: -36.839
flat angles P-C4'-P energy: -30.508
tors. eta vs tors. theta energy: -52.918
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: 7
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -549.807435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.807435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.807435 (E_RNA)
where:
Base-Base interactions energy: -356.750
where: short stacking energy: -171.612
Base-Backbone interact. energy: -0.170
local terms energy: -192.887484
where:
bonds (distance) C4'-P energy: -38.255
bonds (distance) P-C4' energy: -34.312
flat angles C4'-P-C4' energy: -35.313
flat angles P-C4'-P energy: -28.198
tors. eta vs tors. theta energy: -56.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -307.855113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.855113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.855113 (E_RNA)
where:
Base-Base interactions energy: -169.607
where: short stacking energy: -72.887
Base-Backbone interact. energy: 5.249
local terms energy: -143.496469
where:
bonds (distance) C4'-P energy: -28.715
bonds (distance) P-C4' energy: -34.928
flat angles C4'-P-C4' energy: -39.119
flat angles P-C4'-P energy: -24.226
tors. eta vs tors. theta energy: -16.508
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: 10
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -194.158809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.158809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.158809 (E_RNA)
where:
Base-Base interactions energy: -61.256
where: short stacking energy: -59.831
Base-Backbone interact. energy: -0.168
local terms energy: -132.735317
where:
bonds (distance) C4'-P energy: -44.972
bonds (distance) P-C4' energy: -33.093
flat angles C4'-P-C4' energy: -36.027
flat angles P-C4'-P energy: -15.042
tors. eta vs tors. theta energy: -3.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -181.685293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.685293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.685293 (E_RNA)
where:
Base-Base interactions energy: -69.344
where: short stacking energy: -41.460
Base-Backbone interact. energy: 0.331
local terms energy: -112.672218
where:
bonds (distance) C4'-P energy: -35.944
bonds (distance) P-C4' energy: -36.638
flat angles C4'-P-C4' energy: -29.753
flat angles P-C4'-P energy: -19.990
tors. eta vs tors. theta energy: 9.654
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: 5
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -176.462501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.462501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.462501 (E_RNA)
where:
Base-Base interactions energy: -64.833
where: short stacking energy: -41.067
Base-Backbone interact. energy: -1.811
local terms energy: -109.818803
where:
bonds (distance) C4'-P energy: -38.414
bonds (distance) P-C4' energy: -33.358
flat angles C4'-P-C4' energy: -26.015
flat angles P-C4'-P energy: -18.782
tors. eta vs tors. theta energy: 6.750
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: 4
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -667.918985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.918985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.918985 (E_RNA)
where:
Base-Base interactions energy: -440.592
where: short stacking energy: -202.194
Base-Backbone interact. energy: -1.374
local terms energy: -225.952490
where:
bonds (distance) C4'-P energy: -37.086
bonds (distance) P-C4' energy: -43.186
flat angles C4'-P-C4' energy: -49.072
flat angles P-C4'-P energy: -31.076
tors. eta vs tors. theta energy: -65.532
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: 6
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -650.779876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.779876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.779876 (E_RNA)
where:
Base-Base interactions energy: -438.337
where: short stacking energy: -206.565
Base-Backbone interact. energy: -1.113
local terms energy: -211.330136
where:
bonds (distance) C4'-P energy: -34.893
bonds (distance) P-C4' energy: -38.018
flat angles C4'-P-C4' energy: -47.409
flat angles P-C4'-P energy: -28.814
tors. eta vs tors. theta energy: -62.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -639.548288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.548288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.548288 (E_RNA)
where:
Base-Base interactions energy: -431.642
where: short stacking energy: -190.314
Base-Backbone interact. energy: -0.298
local terms energy: -207.608394
where:
bonds (distance) C4'-P energy: -36.931
bonds (distance) P-C4' energy: -42.537
flat angles C4'-P-C4' energy: -38.038
flat angles P-C4'-P energy: -30.524
tors. eta vs tors. theta energy: -59.578
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: 8
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -589.148149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.148149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.148149 (E_RNA)
where:
Base-Base interactions energy: -384.784
where: short stacking energy: -184.234
Base-Backbone interact. energy: -0.487
local terms energy: -203.877017
where:
bonds (distance) C4'-P energy: -41.330
bonds (distance) P-C4' energy: -38.892
flat angles C4'-P-C4' energy: -38.003
flat angles P-C4'-P energy: -22.851
tors. eta vs tors. theta energy: -62.802
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: 7
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -573.249453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.249453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.249453 (E_RNA)
where:
Base-Base interactions energy: -365.447
where: short stacking energy: -173.389
Base-Backbone interact. energy: -0.629
local terms energy: -207.173645
where:
bonds (distance) C4'-P energy: -40.465
bonds (distance) P-C4' energy: -36.117
flat angles C4'-P-C4' energy: -43.294
flat angles P-C4'-P energy: -30.647
tors. eta vs tors. theta energy: -56.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -569.817493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.817493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.817493 (E_RNA)
where:
Base-Base interactions energy: -376.650
where: short stacking energy: -163.938
Base-Backbone interact. energy: 1.486
local terms energy: -194.654113
where:
bonds (distance) C4'-P energy: -39.835
bonds (distance) P-C4' energy: -36.949
flat angles C4'-P-C4' energy: -39.754
flat angles P-C4'-P energy: -26.051
tors. eta vs tors. theta energy: -52.065
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: 1
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -296.781309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.781309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.781309 (E_RNA)
where:
Base-Base interactions energy: -151.243
where: short stacking energy: -80.153
Base-Backbone interact. energy: -0.433
local terms energy: -145.104859
where:
bonds (distance) C4'-P energy: -30.379
bonds (distance) P-C4' energy: -38.427
flat angles C4'-P-C4' energy: -35.289
flat angles P-C4'-P energy: -25.698
tors. eta vs tors. theta energy: -15.312
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: 10
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -212.481595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.481595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.481595 (E_RNA)
where:
Base-Base interactions energy: -82.771
where: short stacking energy: -74.436
Base-Backbone interact. energy: -0.816
local terms energy: -128.894940
where:
bonds (distance) C4'-P energy: -29.652
bonds (distance) P-C4' energy: -38.288
flat angles C4'-P-C4' energy: -28.112
flat angles P-C4'-P energy: -21.104
tors. eta vs tors. theta energy: -11.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -182.632477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.632477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.632477 (E_RNA)
where:
Base-Base interactions energy: -66.020
where: short stacking energy: -63.068
Base-Backbone interact. energy: 5.453
local terms energy: -122.064936
where:
bonds (distance) C4'-P energy: -32.440
bonds (distance) P-C4' energy: -36.438
flat angles C4'-P-C4' energy: -23.095
flat angles P-C4'-P energy: -26.805
tors. eta vs tors. theta energy: -3.287
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: 10, replica: 3
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -169.827475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.827475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.827475 (E_RNA)
where:
Base-Base interactions energy: -46.809
where: short stacking energy: -40.109
Base-Backbone interact. energy: -1.860
local terms energy: -121.158337
where:
bonds (distance) C4'-P energy: -38.224
bonds (distance) P-C4' energy: -33.957
flat angles C4'-P-C4' energy: -32.817
flat angles P-C4'-P energy: -21.266
tors. eta vs tors. theta energy: 5.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -657.266636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.266636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.266636 (E_RNA)
where:
Base-Base interactions energy: -441.170
where: short stacking energy: -194.358
Base-Backbone interact. energy: 1.004
local terms energy: -217.100160
where:
bonds (distance) C4'-P energy: -38.245
bonds (distance) P-C4' energy: -43.959
flat angles C4'-P-C4' energy: -42.527
flat angles P-C4'-P energy: -32.127
tors. eta vs tors. theta energy: -60.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -648.316488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.316488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.316488 (E_RNA)
where:
Base-Base interactions energy: -430.278
where: short stacking energy: -193.508
Base-Backbone interact. energy: -0.608
local terms energy: -217.431021
where:
bonds (distance) C4'-P energy: -43.204
bonds (distance) P-C4' energy: -43.903
flat angles C4'-P-C4' energy: -44.155
flat angles P-C4'-P energy: -26.948
tors. eta vs tors. theta energy: -59.221
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: 9
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -607.045234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.045234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.045234 (E_RNA)
where:
Base-Base interactions energy: -399.668
where: short stacking energy: -189.443
Base-Backbone interact. energy: 0.377
local terms energy: -207.753985
where:
bonds (distance) C4'-P energy: -33.570
bonds (distance) P-C4' energy: -39.658
flat angles C4'-P-C4' energy: -46.923
flat angles P-C4'-P energy: -32.194
tors. eta vs tors. theta energy: -55.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -596.374345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.374345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.374345 (E_RNA)
where:
Base-Base interactions energy: -384.367
where: short stacking energy: -188.479
Base-Backbone interact. energy: -0.802
local terms energy: -211.205866
where:
bonds (distance) C4'-P energy: -39.926
bonds (distance) P-C4' energy: -36.025
flat angles C4'-P-C4' energy: -44.589
flat angles P-C4'-P energy: -31.647
tors. eta vs tors. theta energy: -59.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -583.263496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.263496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.263496 (E_RNA)
where:
Base-Base interactions energy: -380.768
where: short stacking energy: -182.963
Base-Backbone interact. energy: -0.725
local terms energy: -201.770489
where:
bonds (distance) C4'-P energy: -41.885
bonds (distance) P-C4' energy: -38.223
flat angles C4'-P-C4' energy: -38.929
flat angles P-C4'-P energy: -26.419
tors. eta vs tors. theta energy: -56.315
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: 6, replica: 2
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -579.919273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.919273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.919273 (E_RNA)
where:
Base-Base interactions energy: -387.010
where: short stacking energy: -170.726
Base-Backbone interact. energy: -0.576
local terms energy: -192.332833
where:
bonds (distance) C4'-P energy: -30.150
bonds (distance) P-C4' energy: -43.792
flat angles C4'-P-C4' energy: -32.494
flat angles P-C4'-P energy: -27.781
tors. eta vs tors. theta energy: -58.116
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: 7, replica: 1
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -267.667562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.667562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.667562 (E_RNA)
where:
Base-Base interactions energy: -135.008
where: short stacking energy: -79.517
Base-Backbone interact. energy: -0.379
local terms energy: -132.280451
where:
bonds (distance) C4'-P energy: -31.442
bonds (distance) P-C4' energy: -38.329
flat angles C4'-P-C4' energy: -33.180
flat angles P-C4'-P energy: -14.510
tors. eta vs tors. theta energy: -14.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -208.023586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.023586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.023586 (E_RNA)
where:
Base-Base interactions energy: -83.737
where: short stacking energy: -70.173
Base-Backbone interact. energy: -1.171
local terms energy: -123.114808
where:
bonds (distance) C4'-P energy: -35.112
bonds (distance) P-C4' energy: -30.547
flat angles C4'-P-C4' energy: -35.661
flat angles P-C4'-P energy: -15.109
tors. eta vs tors. theta energy: -6.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -185.575336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.575336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.575336 (E_RNA)
where:
Base-Base interactions energy: -75.797
where: short stacking energy: -58.589
Base-Backbone interact. energy: 5.458
local terms energy: -115.236331
where:
bonds (distance) C4'-P energy: -25.546
bonds (distance) P-C4' energy: -39.294
flat angles C4'-P-C4' energy: -32.790
flat angles P-C4'-P energy: -11.220
tors. eta vs tors. theta energy: -6.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -171.034935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.034935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.034935 (E_RNA)
where:
Base-Base interactions energy: -51.490
where: short stacking energy: -51.490
Base-Backbone interact. energy: 0.728
local terms energy: -120.272710
where:
bonds (distance) C4'-P energy: -34.701
bonds (distance) P-C4' energy: -34.768
flat angles C4'-P-C4' energy: -29.341
flat angles P-C4'-P energy: -14.216
tors. eta vs tors. theta energy: -7.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -679.220406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.220406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.220406 (E_RNA)
where:
Base-Base interactions energy: -458.939
where: short stacking energy: -208.783
Base-Backbone interact. energy: -0.293
local terms energy: -219.988396
where:
bonds (distance) C4'-P energy: -40.350
bonds (distance) P-C4' energy: -38.895
flat angles C4'-P-C4' energy: -40.826
flat angles P-C4'-P energy: -35.491
tors. eta vs tors. theta energy: -64.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -627.828367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.828367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.828367 (E_RNA)
where:
Base-Base interactions energy: -405.591
where: short stacking energy: -196.256
Base-Backbone interact. energy: -0.157
local terms energy: -222.079543
where:
bonds (distance) C4'-P energy: -39.335
bonds (distance) P-C4' energy: -36.806
flat angles C4'-P-C4' energy: -49.136
flat angles P-C4'-P energy: -30.438
tors. eta vs tors. theta energy: -66.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -585.744717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.744717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.744717 (E_RNA)
where:
Base-Base interactions energy: -391.683
where: short stacking energy: -172.500
Base-Backbone interact. energy: -0.186
local terms energy: -193.875714
where:
bonds (distance) C4'-P energy: -42.637
bonds (distance) P-C4' energy: -35.405
flat angles C4'-P-C4' energy: -37.991
flat angles P-C4'-P energy: -28.867
tors. eta vs tors. theta energy: -48.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -603.181559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.181559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.181559 (E_RNA)
where:
Base-Base interactions energy: -405.396
where: short stacking energy: -180.940
Base-Backbone interact. energy: -0.577
local terms energy: -197.208844
where:
bonds (distance) C4'-P energy: -31.643
bonds (distance) P-C4' energy: -37.996
flat angles C4'-P-C4' energy: -43.031
flat angles P-C4'-P energy: -33.737
tors. eta vs tors. theta energy: -50.801
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: 5, replica: 8
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -567.029350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.029350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.029350 (E_RNA)
where:
Base-Base interactions energy: -376.802
where: short stacking energy: -171.524
Base-Backbone interact. energy: 0.056
local terms energy: -190.283453
where:
bonds (distance) C4'-P energy: -36.686
bonds (distance) P-C4' energy: -32.253
flat angles C4'-P-C4' energy: -41.152
flat angles P-C4'-P energy: -27.257
tors. eta vs tors. theta energy: -52.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -556.517809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.517809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.517809 (E_RNA)
where:
Base-Base interactions energy: -384.036
where: short stacking energy: -155.827
Base-Backbone interact. energy: -0.299
local terms energy: -172.182461
where:
bonds (distance) C4'-P energy: -36.039
bonds (distance) P-C4' energy: -35.764
flat angles C4'-P-C4' energy: -31.883
flat angles P-C4'-P energy: -24.310
tors. eta vs tors. theta energy: -44.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -309.292187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.292187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.292187 (E_RNA)
where:
Base-Base interactions energy: -173.867
where: short stacking energy: -96.498
Base-Backbone interact. energy: -0.125
local terms energy: -135.299950
where:
bonds (distance) C4'-P energy: -25.464
bonds (distance) P-C4' energy: -32.781
flat angles C4'-P-C4' energy: -34.248
flat angles P-C4'-P energy: -26.400
tors. eta vs tors. theta energy: -16.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -193.893558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.893558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.893558 (E_RNA)
where:
Base-Base interactions energy: -71.166
where: short stacking energy: -67.601
Base-Backbone interact. energy: -0.542
local terms energy: -122.185384
where:
bonds (distance) C4'-P energy: -32.722
bonds (distance) P-C4' energy: -32.176
flat angles C4'-P-C4' energy: -32.670
flat angles P-C4'-P energy: -20.760
tors. eta vs tors. theta energy: -3.857
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: 9, replica: 3
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -192.813233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.813233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.813233 (E_RNA)
where:
Base-Base interactions energy: -64.036
where: short stacking energy: -63.734
Base-Backbone interact. energy: -0.025
local terms energy: -128.752785
where:
bonds (distance) C4'-P energy: -33.666
bonds (distance) P-C4' energy: -39.297
flat angles C4'-P-C4' energy: -37.620
flat angles P-C4'-P energy: -12.539
tors. eta vs tors. theta energy: -5.631
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: 10
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -176.855306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.855306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.855306 (E_RNA)
where:
Base-Base interactions energy: -63.173
where: short stacking energy: -46.176
Base-Backbone interact. energy: 0.706
local terms energy: -114.388048
where:
bonds (distance) C4'-P energy: -33.536
bonds (distance) P-C4' energy: -40.953
flat angles C4'-P-C4' energy: -33.962
flat angles P-C4'-P energy: -17.569
tors. eta vs tors. theta energy: 11.631
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: 4
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -684.312540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.312540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.312540 (E_RNA)
where:
Base-Base interactions energy: -463.716
where: short stacking energy: -211.705
Base-Backbone interact. energy: -0.454
local terms energy: -220.142697
where:
bonds (distance) C4'-P energy: -37.772
bonds (distance) P-C4' energy: -35.310
flat angles C4'-P-C4' energy: -48.912
flat angles P-C4'-P energy: -31.635
tors. eta vs tors. theta energy: -66.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -666.964557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.964557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.964557 (E_RNA)
where:
Base-Base interactions energy: -451.856
where: short stacking energy: -206.710
Base-Backbone interact. energy: -0.105
local terms energy: -215.003606
where:
bonds (distance) C4'-P energy: -37.527
bonds (distance) P-C4' energy: -40.993
flat angles C4'-P-C4' energy: -41.837
flat angles P-C4'-P energy: -33.918
tors. eta vs tors. theta energy: -60.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -614.240161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.240161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.240161 (E_RNA)
where:
Base-Base interactions energy: -400.983
where: short stacking energy: -197.896
Base-Backbone interact. energy: -1.066
local terms energy: -212.191422
where:
bonds (distance) C4'-P energy: -35.216
bonds (distance) P-C4' energy: -43.751
flat angles C4'-P-C4' energy: -42.787
flat angles P-C4'-P energy: -33.253
tors. eta vs tors. theta energy: -57.184
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: 9
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -605.505210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.505210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.505210 (E_RNA)
where:
Base-Base interactions energy: -394.265
where: short stacking energy: -187.242
Base-Backbone interact. energy: -0.339
local terms energy: -210.902047
where:
bonds (distance) C4'-P energy: -32.720
bonds (distance) P-C4' energy: -44.296
flat angles C4'-P-C4' energy: -46.696
flat angles P-C4'-P energy: -26.149
tors. eta vs tors. theta energy: -61.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -562.104635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.104635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.104635 (E_RNA)
where:
Base-Base interactions energy: -366.575
where: short stacking energy: -176.135
Base-Backbone interact. energy: -0.685
local terms energy: -194.843829
where:
bonds (distance) C4'-P energy: -28.272
bonds (distance) P-C4' energy: -37.421
flat angles C4'-P-C4' energy: -42.406
flat angles P-C4'-P energy: -32.355
tors. eta vs tors. theta energy: -54.389
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: 6, replica: 2
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -552.341584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.341584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.341584 (E_RNA)
where:
Base-Base interactions energy: -355.948
where: short stacking energy: -155.795
Base-Backbone interact. energy: 0.027
local terms energy: -196.420028
where:
bonds (distance) C4'-P energy: -36.800
bonds (distance) P-C4' energy: -37.456
flat angles C4'-P-C4' energy: -45.812
flat angles P-C4'-P energy: -29.053
tors. eta vs tors. theta energy: -47.299
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: 1
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -294.718744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.718744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.718744 (E_RNA)
where:
Base-Base interactions energy: -156.090
where: short stacking energy: -68.912
Base-Backbone interact. energy: -0.956
local terms energy: -137.672354
where:
bonds (distance) C4'-P energy: -34.623
bonds (distance) P-C4' energy: -35.474
flat angles C4'-P-C4' energy: -35.259
flat angles P-C4'-P energy: -23.081
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: 8, replica: 5
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -200.481550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.481550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.481550 (E_RNA)
where:
Base-Base interactions energy: -70.996
where: short stacking energy: -58.863
Base-Backbone interact. energy: -1.083
local terms energy: -128.402532
where:
bonds (distance) C4'-P energy: -32.397
bonds (distance) P-C4' energy: -38.098
flat angles C4'-P-C4' energy: -33.622
flat angles P-C4'-P energy: -22.741
tors. eta vs tors. theta energy: -1.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -220.567374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.567374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.567374 (E_RNA)
where:
Base-Base interactions energy: -93.559
where: short stacking energy: -59.496
Base-Backbone interact. energy: 3.408
local terms energy: -130.415890
where:
bonds (distance) C4'-P energy: -39.069
bonds (distance) P-C4' energy: -35.743
flat angles C4'-P-C4' energy: -21.825
flat angles P-C4'-P energy: -26.438
tors. eta vs tors. theta energy: -7.341
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: 10
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -172.018125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.018125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.018125 (E_RNA)
where:
Base-Base interactions energy: -58.443
where: short stacking energy: -51.692
Base-Backbone interact. energy: 1.707
local terms energy: -115.281904
where:
bonds (distance) C4'-P energy: -27.987
bonds (distance) P-C4' energy: -29.098
flat angles C4'-P-C4' energy: -29.592
flat angles P-C4'-P energy: -21.889
tors. eta vs tors. theta energy: -6.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -669.842565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.842565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.842565 (E_RNA)
where:
Base-Base interactions energy: -458.455
where: short stacking energy: -197.029
Base-Backbone interact. energy: -0.696
local terms energy: -210.691967
where:
bonds (distance) C4'-P energy: -43.381
bonds (distance) P-C4' energy: -36.826
flat angles C4'-P-C4' energy: -45.101
flat angles P-C4'-P energy: -23.380
tors. eta vs tors. theta energy: -62.003
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: 190
Temperature: 0.950000
Total energy: -654.749821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.749821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.749821 (E_RNA)
where:
Base-Base interactions energy: -432.383
where: short stacking energy: -209.495
Base-Backbone interact. energy: -0.158
local terms energy: -222.208769
where:
bonds (distance) C4'-P energy: -44.782
bonds (distance) P-C4' energy: -37.441
flat angles C4'-P-C4' energy: -43.243
flat angles P-C4'-P energy: -26.828
tors. eta vs tors. theta energy: -69.914
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: 3, replica: 9
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -635.823494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.823494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.823494 (E_RNA)
where:
Base-Base interactions energy: -424.810
where: short stacking energy: -183.193
Base-Backbone interact. energy: -0.690
local terms energy: -210.323726
where:
bonds (distance) C4'-P energy: -39.176
bonds (distance) P-C4' energy: -43.091
flat angles C4'-P-C4' energy: -41.865
flat angles P-C4'-P energy: -29.523
tors. eta vs tors. theta energy: -56.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -573.319493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.319493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.319493 (E_RNA)
where:
Base-Base interactions energy: -376.283
where: short stacking energy: -184.594
Base-Backbone interact. energy: -0.142
local terms energy: -196.894170
where:
bonds (distance) C4'-P energy: -34.424
bonds (distance) P-C4' energy: -35.658
flat angles C4'-P-C4' energy: -45.894
flat angles P-C4'-P energy: -26.736
tors. eta vs tors. theta energy: -54.182
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: 5, replica: 8
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -557.421620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.421620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.421620 (E_RNA)
where:
Base-Base interactions energy: -372.560
where: short stacking energy: -173.585
Base-Backbone interact. energy: -0.791
local terms energy: -184.070451
where:
bonds (distance) C4'-P energy: -24.240
bonds (distance) P-C4' energy: -37.695
flat angles C4'-P-C4' energy: -43.918
flat angles P-C4'-P energy: -23.291
tors. eta vs tors. theta energy: -54.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -567.765917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.765917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.765917 (E_RNA)
where:
Base-Base interactions energy: -383.054
where: short stacking energy: -169.724
Base-Backbone interact. energy: -1.533
local terms energy: -183.179074
where:
bonds (distance) C4'-P energy: -28.974
bonds (distance) P-C4' energy: -39.081
flat angles C4'-P-C4' energy: -36.917
flat angles P-C4'-P energy: -25.253
tors. eta vs tors. theta energy: -52.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -301.960574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.960574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.960574 (E_RNA)
where:
Base-Base interactions energy: -147.917
where: short stacking energy: -79.135
Base-Backbone interact. energy: -0.707
local terms energy: -153.336318
where:
bonds (distance) C4'-P energy: -37.344
bonds (distance) P-C4' energy: -39.420
flat angles C4'-P-C4' energy: -37.868
flat angles P-C4'-P energy: -24.775
tors. eta vs tors. theta energy: -13.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -175.187715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.187715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.187715 (E_RNA)
where:
Base-Base interactions energy: -60.834
where: short stacking energy: -44.658
Base-Backbone interact. energy: 1.123
local terms energy: -115.475895
where:
bonds (distance) C4'-P energy: -36.242
bonds (distance) P-C4' energy: -41.065
flat angles C4'-P-C4' energy: -23.365
flat angles P-C4'-P energy: -20.295
tors. eta vs tors. theta energy: 5.491
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: 10
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -187.347507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.347507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.347507 (E_RNA)
where:
Base-Base interactions energy: -64.191
where: short stacking energy: -46.469
Base-Backbone interact. energy: -0.639
local terms energy: -122.518074
where:
bonds (distance) C4'-P energy: -27.231
bonds (distance) P-C4' energy: -36.132
flat angles C4'-P-C4' energy: -31.972
flat angles P-C4'-P energy: -32.207
tors. eta vs tors. theta energy: 5.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -164.714495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.714495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.714495 (E_RNA)
where:
Base-Base interactions energy: -48.233
where: short stacking energy: -35.909
Base-Backbone interact. energy: 1.440
local terms energy: -117.922340
where:
bonds (distance) C4'-P energy: -36.016
bonds (distance) P-C4' energy: -35.916
flat angles C4'-P-C4' energy: -35.106
flat angles P-C4'-P energy: -19.098
tors. eta vs tors. theta energy: 8.214
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: 4
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -662.915227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.915227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.915227 (E_RNA)
where:
Base-Base interactions energy: -452.513
where: short stacking energy: -185.059
Base-Backbone interact. energy: -0.454
local terms energy: -209.948191
where:
bonds (distance) C4'-P energy: -38.896
bonds (distance) P-C4' energy: -38.564
flat angles C4'-P-C4' energy: -41.903
flat angles P-C4'-P energy: -28.129
tors. eta vs tors. theta energy: -62.457
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: 2, replica: 9
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -634.866771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.866771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.866771 (E_RNA)
where:
Base-Base interactions energy: -429.077
where: short stacking energy: -195.511
Base-Backbone interact. energy: -1.023
local terms energy: -204.767084
where:
bonds (distance) C4'-P energy: -31.932
bonds (distance) P-C4' energy: -41.436
flat angles C4'-P-C4' energy: -44.457
flat angles P-C4'-P energy: -25.670
tors. eta vs tors. theta energy: -61.273
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: 6
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -647.863785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.863785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.863785 (E_RNA)
where:
Base-Base interactions energy: -430.484
where: short stacking energy: -193.966
Base-Backbone interact. energy: -1.067
local terms energy: -216.313129
where:
bonds (distance) C4'-P energy: -37.633
bonds (distance) P-C4' energy: -33.668
flat angles C4'-P-C4' energy: -45.152
flat angles P-C4'-P energy: -33.971
tors. eta vs tors. theta energy: -65.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -590.519740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.519740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.519740 (E_RNA)
where:
Base-Base interactions energy: -388.780
where: short stacking energy: -168.541
Base-Backbone interact. energy: -0.297
local terms energy: -201.442276
where:
bonds (distance) C4'-P energy: -37.964
bonds (distance) P-C4' energy: -35.054
flat angles C4'-P-C4' energy: -49.642
flat angles P-C4'-P energy: -30.051
tors. eta vs tors. theta energy: -48.731
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: 5, replica: 7
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -562.846373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.846373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.846373 (E_RNA)
where:
Base-Base interactions energy: -358.357
where: short stacking energy: -174.484
Base-Backbone interact. energy: -0.455
local terms energy: -204.033816
where:
bonds (distance) C4'-P energy: -39.526
bonds (distance) P-C4' energy: -38.846
flat angles C4'-P-C4' energy: -42.240
flat angles P-C4'-P energy: -25.103
tors. eta vs tors. theta energy: -58.319
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: 2
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -553.044332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.044332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.044332 (E_RNA)
where:
Base-Base interactions energy: -376.944
where: short stacking energy: -164.743
Base-Backbone interact. energy: -0.637
local terms energy: -175.463568
where:
bonds (distance) C4'-P energy: -29.471
bonds (distance) P-C4' energy: -28.324
flat angles C4'-P-C4' energy: -34.787
flat angles P-C4'-P energy: -25.326
tors. eta vs tors. theta energy: -57.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -344.355846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.355846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.355846 (E_RNA)
where:
Base-Base interactions energy: -199.526
where: short stacking energy: -98.043
Base-Backbone interact. energy: -1.014
local terms energy: -143.815780
where:
bonds (distance) C4'-P energy: -28.882
bonds (distance) P-C4' energy: -29.099
flat angles C4'-P-C4' energy: -40.158
flat angles P-C4'-P energy: -24.810
tors. eta vs tors. theta energy: -20.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -207.901385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.901385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.901385 (E_RNA)
where:
Base-Base interactions energy: -79.619
where: short stacking energy: -40.597
Base-Backbone interact. energy: 1.174
local terms energy: -129.456677
where:
bonds (distance) C4'-P energy: -34.844
bonds (distance) P-C4' energy: -42.345
flat angles C4'-P-C4' energy: -36.289
flat angles P-C4'-P energy: -18.113
tors. eta vs tors. theta energy: 2.134
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: 9, replica: 5
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -185.420859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.420859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.420859 (E_RNA)
where:
Base-Base interactions energy: -62.844
where: short stacking energy: -52.963
Base-Backbone interact. energy: -0.695
local terms energy: -121.881380
where:
bonds (distance) C4'-P energy: -35.275
bonds (distance) P-C4' energy: -36.145
flat angles C4'-P-C4' energy: -31.330
flat angles P-C4'-P energy: -18.579
tors. eta vs tors. theta energy: -0.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -180.297537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.297537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.297537 (E_RNA)
where:
Base-Base interactions energy: -69.573
where: short stacking energy: -32.301
Base-Backbone interact. energy: -1.047
local terms energy: -109.677720
where:
bonds (distance) C4'-P energy: -34.762
bonds (distance) P-C4' energy: -38.479
flat angles C4'-P-C4' energy: -26.879
flat angles P-C4'-P energy: -20.931
tors. eta vs tors. theta energy: 11.372
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: 4
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -668.596630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.596630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.596630 (E_RNA)
where:
Base-Base interactions energy: -449.104
where: short stacking energy: -201.762
Base-Backbone interact. energy: -1.364
local terms energy: -218.128951
where:
bonds (distance) C4'-P energy: -39.909
bonds (distance) P-C4' energy: -41.287
flat angles C4'-P-C4' energy: -46.001
flat angles P-C4'-P energy: -29.998
tors. eta vs tors. theta energy: -60.934
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: 9
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -656.162519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.162519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.162519 (E_RNA)
where:
Base-Base interactions energy: -451.974
where: short stacking energy: -196.812
Base-Backbone interact. energy: 0.838
local terms energy: -205.027223
where:
bonds (distance) C4'-P energy: -37.095
bonds (distance) P-C4' energy: -35.894
flat angles C4'-P-C4' energy: -45.067
flat angles P-C4'-P energy: -30.421
tors. eta vs tors. theta energy: -56.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -607.442602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.442602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.442602 (E_RNA)
where:
Base-Base interactions energy: -391.727
where: short stacking energy: -193.184
Base-Backbone interact. energy: -0.644
local terms energy: -215.072157
where:
bonds (distance) C4'-P energy: -33.597
bonds (distance) P-C4' energy: -43.619
flat angles C4'-P-C4' energy: -43.123
flat angles P-C4'-P energy: -30.267
tors. eta vs tors. theta energy: -64.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -610.099970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.099970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.099970 (E_RNA)
where:
Base-Base interactions energy: -404.687
where: short stacking energy: -189.539
Base-Backbone interact. energy: -1.276
local terms energy: -204.136153
where:
bonds (distance) C4'-P energy: -32.505
bonds (distance) P-C4' energy: -37.124
flat angles C4'-P-C4' energy: -40.340
flat angles P-C4'-P energy: -30.369
tors. eta vs tors. theta energy: -63.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -548.959364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.959364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.959364 (E_RNA)
where:
Base-Base interactions energy: -358.961
where: short stacking energy: -160.263
Base-Backbone interact. energy: -0.213
local terms energy: -189.785683
where:
bonds (distance) C4'-P energy: -36.687
bonds (distance) P-C4' energy: -30.410
flat angles C4'-P-C4' energy: -42.872
flat angles P-C4'-P energy: -28.582
tors. eta vs tors. theta energy: -51.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -555.959775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.959775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.959775 (E_RNA)
where:
Base-Base interactions energy: -369.162
where: short stacking energy: -161.446
Base-Backbone interact. energy: -0.763
local terms energy: -186.034176
where:
bonds (distance) C4'-P energy: -35.870
bonds (distance) P-C4' energy: -40.063
flat angles C4'-P-C4' energy: -39.169
flat angles P-C4'-P energy: -23.700
tors. eta vs tors. theta energy: -47.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -315.577964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.577964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.577964 (E_RNA)
where:
Base-Base interactions energy: -178.476
where: short stacking energy: -92.710
Base-Backbone interact. energy: 1.362
local terms energy: -138.463688
where:
bonds (distance) C4'-P energy: -31.359
bonds (distance) P-C4' energy: -27.761
flat angles C4'-P-C4' energy: -38.487
flat angles P-C4'-P energy: -17.276
tors. eta vs tors. theta energy: -23.580
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: 10
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -193.383556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.383556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.383556 (E_RNA)
where:
Base-Base interactions energy: -76.507
where: short stacking energy: -66.004
Base-Backbone interact. energy: -0.435
local terms energy: -116.441291
where:
bonds (distance) C4'-P energy: -40.355
bonds (distance) P-C4' energy: -34.809
flat angles C4'-P-C4' energy: -31.975
flat angles P-C4'-P energy: -7.966
tors. eta vs tors. theta energy: -1.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -227.100566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.100566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.100566 (E_RNA)
where:
Base-Base interactions energy: -117.294
where: short stacking energy: -56.096
Base-Backbone interact. energy: -0.622
local terms energy: -109.184287
where:
bonds (distance) C4'-P energy: -35.886
bonds (distance) P-C4' energy: -32.469
flat angles C4'-P-C4' energy: -26.975
flat angles P-C4'-P energy: -20.145
tors. eta vs tors. theta energy: 6.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -169.222548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.222548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.222548 (E_RNA)
where:
Base-Base interactions energy: -54.464
where: short stacking energy: -46.960
Base-Backbone interact. energy: -0.487
local terms energy: -114.271325
where:
bonds (distance) C4'-P energy: -27.614
bonds (distance) P-C4' energy: -35.504
flat angles C4'-P-C4' energy: -35.580
flat angles P-C4'-P energy: -18.723
tors. eta vs tors. theta energy: 3.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -659.886857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.886857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.886857 (E_RNA)
where:
Base-Base interactions energy: -445.863
where: short stacking energy: -187.794
Base-Backbone interact. energy: -0.358
local terms energy: -213.666117
where:
bonds (distance) C4'-P energy: -40.015
bonds (distance) P-C4' energy: -38.993
flat angles C4'-P-C4' energy: -45.130
flat angles P-C4'-P energy: -32.885
tors. eta vs tors. theta energy: -56.644
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: 9
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -646.218943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.218943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.218943 (E_RNA)
where:
Base-Base interactions energy: -436.264
where: short stacking energy: -187.165
Base-Backbone interact. energy: -0.866
local terms energy: -209.088182
where:
bonds (distance) C4'-P energy: -33.520
bonds (distance) P-C4' energy: -40.436
flat angles C4'-P-C4' energy: -45.184
flat angles P-C4'-P energy: -29.604
tors. eta vs tors. theta energy: -60.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -609.824012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.824012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.824012 (E_RNA)
where:
Base-Base interactions energy: -403.004
where: short stacking energy: -203.665
Base-Backbone interact. energy: -0.194
local terms energy: -206.625546
where:
bonds (distance) C4'-P energy: -31.896
bonds (distance) P-C4' energy: -41.484
flat angles C4'-P-C4' energy: -42.402
flat angles P-C4'-P energy: -30.252
tors. eta vs tors. theta energy: -60.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -625.379510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.379510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.379510 (E_RNA)
where:
Base-Base interactions energy: -422.593
where: short stacking energy: -191.920
Base-Backbone interact. energy: -1.238
local terms energy: -201.547954
where:
bonds (distance) C4'-P energy: -29.229
bonds (distance) P-C4' energy: -36.055
flat angles C4'-P-C4' energy: -43.052
flat angles P-C4'-P energy: -30.146
tors. eta vs tors. theta energy: -63.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -558.959887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.959887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.959887 (E_RNA)
where:
Base-Base interactions energy: -361.547
where: short stacking energy: -181.262
Base-Backbone interact. energy: -0.139
local terms energy: -197.273668
where:
bonds (distance) C4'-P energy: -37.497
bonds (distance) P-C4' energy: -40.165
flat angles C4'-P-C4' energy: -39.671
flat angles P-C4'-P energy: -23.461
tors. eta vs tors. theta energy: -56.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -568.846172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.846172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.846172 (E_RNA)
where:
Base-Base interactions energy: -380.977
where: short stacking energy: -168.324
Base-Backbone interact. energy: -0.856
local terms energy: -187.012709
where:
bonds (distance) C4'-P energy: -35.665
bonds (distance) P-C4' energy: -35.925
flat angles C4'-P-C4' energy: -39.909
flat angles P-C4'-P energy: -18.867
tors. eta vs tors. theta energy: -56.646
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: 1
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -309.728766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.728766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.728766 (E_RNA)
where:
Base-Base interactions energy: -178.092
where: short stacking energy: -94.060
Base-Backbone interact. energy: -1.354
local terms energy: -130.282762
where:
bonds (distance) C4'-P energy: -37.724
bonds (distance) P-C4' energy: -35.157
flat angles C4'-P-C4' energy: -30.111
flat angles P-C4'-P energy: -13.785
tors. eta vs tors. theta energy: -13.505
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: 8, replica: 5
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -210.361600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.361600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.361600 (E_RNA)
where:
Base-Base interactions energy: -95.317
where: short stacking energy: -75.887
Base-Backbone interact. energy: 0.402
local terms energy: -115.447080
where:
bonds (distance) C4'-P energy: -25.884
bonds (distance) P-C4' energy: -37.115
flat angles C4'-P-C4' energy: -29.869
flat angles P-C4'-P energy: -22.869
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: 9, replica: 10
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -191.563040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.563040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.563040 (E_RNA)
where:
Base-Base interactions energy: -69.388
where: short stacking energy: -56.892
Base-Backbone interact. energy: -1.717
local terms energy: -120.457787
where:
bonds (distance) C4'-P energy: -29.886
bonds (distance) P-C4' energy: -30.288
flat angles C4'-P-C4' energy: -40.414
flat angles P-C4'-P energy: -20.194
tors. eta vs tors. theta energy: 0.325
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: 3
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -184.636239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.636239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.636239 (E_RNA)
where:
Base-Base interactions energy: -50.317
where: short stacking energy: -47.919
Base-Backbone interact. energy: -0.561
local terms energy: -133.758546
where:
bonds (distance) C4'-P energy: -37.022
bonds (distance) P-C4' energy: -33.862
flat angles C4'-P-C4' energy: -34.074
flat angles P-C4'-P energy: -28.257
tors. eta vs tors. theta energy: -0.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -665.036771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.036771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.036771 (E_RNA)
where:
Base-Base interactions energy: -443.679
where: short stacking energy: -195.390
Base-Backbone interact. energy: -0.690
local terms energy: -220.668625
where:
bonds (distance) C4'-P energy: -42.141
bonds (distance) P-C4' energy: -41.748
flat angles C4'-P-C4' energy: -42.054
flat angles P-C4'-P energy: -35.525
tors. eta vs tors. theta energy: -59.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -642.967362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.967362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.967362 (E_RNA)
where:
Base-Base interactions energy: -440.848
where: short stacking energy: -208.133
Base-Backbone interact. energy: -1.540
local terms energy: -200.579693
where:
bonds (distance) C4'-P energy: -41.813
bonds (distance) P-C4' energy: -39.495
flat angles C4'-P-C4' energy: -36.037
flat angles P-C4'-P energy: -23.513
tors. eta vs tors. theta energy: -59.721
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: 6
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -640.477779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.477779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.477779 (E_RNA)
where:
Base-Base interactions energy: -430.215
where: short stacking energy: -196.600
Base-Backbone interact. energy: -0.550
local terms energy: -209.712220
where:
bonds (distance) C4'-P energy: -36.335
bonds (distance) P-C4' energy: -36.356
flat angles C4'-P-C4' energy: -38.593
flat angles P-C4'-P energy: -32.193
tors. eta vs tors. theta energy: -66.235
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: 8
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -583.445744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.445744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.445744 (E_RNA)
where:
Base-Base interactions energy: -375.713
where: short stacking energy: -190.689
Base-Backbone interact. energy: 0.830
local terms energy: -208.562954
where:
bonds (distance) C4'-P energy: -37.077
bonds (distance) P-C4' energy: -41.621
flat angles C4'-P-C4' energy: -40.406
flat angles P-C4'-P energy: -28.879
tors. eta vs tors. theta energy: -60.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -589.160114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.160114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.160114 (E_RNA)
where:
Base-Base interactions energy: -401.300
where: short stacking energy: -177.535
Base-Backbone interact. energy: 0.150
local terms energy: -188.010261
where:
bonds (distance) C4'-P energy: -38.772
bonds (distance) P-C4' energy: -32.668
flat angles C4'-P-C4' energy: -34.214
flat angles P-C4'-P energy: -28.207
tors. eta vs tors. theta energy: -54.150
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: 7
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -552.176618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.176618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.176618 (E_RNA)
where:
Base-Base interactions energy: -344.210
where: short stacking energy: -161.538
Base-Backbone interact. energy: -0.332
local terms energy: -207.635134
where:
bonds (distance) C4'-P energy: -43.905
bonds (distance) P-C4' energy: -35.956
flat angles C4'-P-C4' energy: -45.511
flat angles P-C4'-P energy: -29.543
tors. eta vs tors. theta energy: -52.721
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: 1
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -255.221504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.221504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.221504 (E_RNA)
where:
Base-Base interactions energy: -114.640
where: short stacking energy: -100.119
Base-Backbone interact. energy: -0.269
local terms energy: -140.313304
where:
bonds (distance) C4'-P energy: -30.358
bonds (distance) P-C4' energy: -31.584
flat angles C4'-P-C4' energy: -36.660
flat angles P-C4'-P energy: -21.768
tors. eta vs tors. theta energy: -19.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -207.037669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.037669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.037669 (E_RNA)
where:
Base-Base interactions energy: -96.740
where: short stacking energy: -58.365
Base-Backbone interact. energy: -0.714
local terms energy: -109.583585
where:
bonds (distance) C4'-P energy: -34.400
bonds (distance) P-C4' energy: -37.155
flat angles C4'-P-C4' energy: -23.821
flat angles P-C4'-P energy: -18.097
tors. eta vs tors. theta energy: 3.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -191.713840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.713840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.713840 (E_RNA)
where:
Base-Base interactions energy: -69.310
where: short stacking energy: -40.817
Base-Backbone interact. energy: -0.047
local terms energy: -122.356517
where:
bonds (distance) C4'-P energy: -35.734
bonds (distance) P-C4' energy: -45.138
flat angles C4'-P-C4' energy: -27.308
flat angles P-C4'-P energy: -20.164
tors. eta vs tors. theta energy: 5.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -176.319843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.319843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.319843 (E_RNA)
where:
Base-Base interactions energy: -62.073
where: short stacking energy: -57.287
Base-Backbone interact. energy: 2.099
local terms energy: -116.345077
where:
bonds (distance) C4'-P energy: -36.679
bonds (distance) P-C4' energy: -35.337
flat angles C4'-P-C4' energy: -25.063
flat angles P-C4'-P energy: -18.876
tors. eta vs tors. theta energy: -0.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -677.561147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.561147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.561147 (E_RNA)
where:
Base-Base interactions energy: -456.565
where: short stacking energy: -203.566
Base-Backbone interact. energy: -1.038
local terms energy: -219.957814
where:
bonds (distance) C4'-P energy: -37.592
bonds (distance) P-C4' energy: -36.804
flat angles C4'-P-C4' energy: -47.127
flat angles P-C4'-P energy: -34.084
tors. eta vs tors. theta energy: -64.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -650.335889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.335889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.335889 (E_RNA)
where:
Base-Base interactions energy: -432.203
where: short stacking energy: -199.464
Base-Backbone interact. energy: -3.285
local terms energy: -214.847934
where:
bonds (distance) C4'-P energy: -36.129
bonds (distance) P-C4' energy: -38.566
flat angles C4'-P-C4' energy: -45.994
flat angles P-C4'-P energy: -26.614
tors. eta vs tors. theta energy: -67.545
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: 3, replica: 9
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -612.109078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.109078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.109078 (E_RNA)
where:
Base-Base interactions energy: -405.507
where: short stacking energy: -193.467
Base-Backbone interact. energy: 2.854
local terms energy: -209.456486
where:
bonds (distance) C4'-P energy: -35.744
bonds (distance) P-C4' energy: -37.456
flat angles C4'-P-C4' energy: -41.948
flat angles P-C4'-P energy: -32.687
tors. eta vs tors. theta energy: -61.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -608.727631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.727631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.727631 (E_RNA)
where:
Base-Base interactions energy: -406.184
where: short stacking energy: -189.618
Base-Backbone interact. energy: -0.144
local terms energy: -202.400221
where:
bonds (distance) C4'-P energy: -30.502
bonds (distance) P-C4' energy: -42.420
flat angles C4'-P-C4' energy: -39.232
flat angles P-C4'-P energy: -30.117
tors. eta vs tors. theta energy: -60.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -570.929853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.929853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.929853 (E_RNA)
where:
Base-Base interactions energy: -373.488
where: short stacking energy: -166.971
Base-Backbone interact. energy: 0.150
local terms energy: -197.591448
where:
bonds (distance) C4'-P energy: -32.218
bonds (distance) P-C4' energy: -42.802
flat angles C4'-P-C4' energy: -38.055
flat angles P-C4'-P energy: -30.701
tors. eta vs tors. theta energy: -53.816
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: 7
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -537.515377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.515377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.515377 (E_RNA)
where:
Base-Base interactions energy: -342.237
where: short stacking energy: -164.579
Base-Backbone interact. energy: -0.358
local terms energy: -194.919517
where:
bonds (distance) C4'-P energy: -31.709
bonds (distance) P-C4' energy: -35.793
flat angles C4'-P-C4' energy: -41.641
flat angles P-C4'-P energy: -34.004
tors. eta vs tors. theta energy: -51.773
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: 195
Temperature: 1.200000
Total energy: -268.338480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.338480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.338480 (E_RNA)
where:
Base-Base interactions energy: -131.428
where: short stacking energy: -74.902
Base-Backbone interact. energy: 0.433
local terms energy: -137.343566
where:
bonds (distance) C4'-P energy: -39.093
bonds (distance) P-C4' energy: -31.629
flat angles C4'-P-C4' energy: -39.020
flat angles P-C4'-P energy: -21.675
tors. eta vs tors. theta energy: -5.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -185.245783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.245783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.245783 (E_RNA)
where:
Base-Base interactions energy: -59.669
where: short stacking energy: -56.802
Base-Backbone interact. energy: 1.108
local terms energy: -126.684111
where:
bonds (distance) C4'-P energy: -34.286
bonds (distance) P-C4' energy: -40.665
flat angles C4'-P-C4' energy: -23.555
flat angles P-C4'-P energy: -21.895
tors. eta vs tors. theta energy: -6.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -187.394965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.394965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.394965 (E_RNA)
where:
Base-Base interactions energy: -86.695
where: short stacking energy: -60.180
Base-Backbone interact. energy: 3.826
local terms energy: -104.526257
where:
bonds (distance) C4'-P energy: -26.214
bonds (distance) P-C4' energy: -36.255
flat angles C4'-P-C4' energy: -28.199
flat angles P-C4'-P energy: -11.035
tors. eta vs tors. theta energy: -2.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -176.474167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.474167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.474167 (E_RNA)
where:
Base-Base interactions energy: -61.884
where: short stacking energy: -51.491
Base-Backbone interact. energy: -0.925
local terms energy: -113.665462
where:
bonds (distance) C4'-P energy: -28.272
bonds (distance) P-C4' energy: -37.494
flat angles C4'-P-C4' energy: -38.697
flat angles P-C4'-P energy: -16.450
tors. eta vs tors. theta energy: 7.248
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: 4
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -677.532419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.532419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.532419 (E_RNA)
where:
Base-Base interactions energy: -454.000
where: short stacking energy: -203.323
Base-Backbone interact. energy: -0.721
local terms energy: -222.811334
where:
bonds (distance) C4'-P energy: -35.153
bonds (distance) P-C4' energy: -42.269
flat angles C4'-P-C4' energy: -44.135
flat angles P-C4'-P energy: -35.475
tors. eta vs tors. theta energy: -65.779
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: 6
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -666.780899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.780899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.780899 (E_RNA)
where:
Base-Base interactions energy: -444.310
where: short stacking energy: -213.387
Base-Backbone interact. energy: -0.185
local terms energy: -222.285404
where:
bonds (distance) C4'-P energy: -37.168
bonds (distance) P-C4' energy: -36.955
flat angles C4'-P-C4' energy: -45.264
flat angles P-C4'-P energy: -31.005
tors. eta vs tors. theta energy: -71.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -631.025701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.025701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.025701 (E_RNA)
where:
Base-Base interactions energy: -422.219
where: short stacking energy: -194.502
Base-Backbone interact. energy: -1.583
local terms energy: -207.223395
where:
bonds (distance) C4'-P energy: -35.632
bonds (distance) P-C4' energy: -41.262
flat angles C4'-P-C4' energy: -39.431
flat angles P-C4'-P energy: -30.618
tors. eta vs tors. theta energy: -60.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -592.196498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.196498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.196498 (E_RNA)
where:
Base-Base interactions energy: -395.497
where: short stacking energy: -184.915
Base-Backbone interact. energy: 2.006
local terms energy: -198.705799
where:
bonds (distance) C4'-P energy: -39.780
bonds (distance) P-C4' energy: -36.583
flat angles C4'-P-C4' energy: -40.641
flat angles P-C4'-P energy: -25.261
tors. eta vs tors. theta energy: -56.441
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: 8
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -567.727612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.727612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.727612 (E_RNA)
where:
Base-Base interactions energy: -377.020
where: short stacking energy: -172.396
Base-Backbone interact. energy: -0.308
local terms energy: -190.399539
where:
bonds (distance) C4'-P energy: -39.256
bonds (distance) P-C4' energy: -35.319
flat angles C4'-P-C4' energy: -39.602
flat angles P-C4'-P energy: -25.766
tors. eta vs tors. theta energy: -50.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -536.358547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.358547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.358547 (E_RNA)
where:
Base-Base interactions energy: -349.328
where: short stacking energy: -158.264
Base-Backbone interact. energy: -0.959
local terms energy: -186.071590
where:
bonds (distance) C4'-P energy: -37.606
bonds (distance) P-C4' energy: -34.417
flat angles C4'-P-C4' energy: -38.596
flat angles P-C4'-P energy: -28.040
tors. eta vs tors. theta energy: -47.412
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: 7, replica: 1
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -278.301928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.301928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.301928 (E_RNA)
where:
Base-Base interactions energy: -145.991
where: short stacking energy: -83.368
Base-Backbone interact. energy: -0.721
local terms energy: -131.590012
where:
bonds (distance) C4'-P energy: -39.793
bonds (distance) P-C4' energy: -37.406
flat angles C4'-P-C4' energy: -30.881
flat angles P-C4'-P energy: -18.378
tors. eta vs tors. theta energy: -5.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -202.711330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.711330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.711330 (E_RNA)
where:
Base-Base interactions energy: -77.686
where: short stacking energy: -46.906
Base-Backbone interact. energy: -0.796
local terms energy: -124.229953
where:
bonds (distance) C4'-P energy: -39.901
bonds (distance) P-C4' energy: -34.796
flat angles C4'-P-C4' energy: -32.218
flat angles P-C4'-P energy: -23.002
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: 9, replica: 10
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -181.361960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.361960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.361960 (E_RNA)
where:
Base-Base interactions energy: -62.323
where: short stacking energy: -57.119
Base-Backbone interact. energy: -0.130
local terms energy: -118.908965
where:
bonds (distance) C4'-P energy: -37.560
bonds (distance) P-C4' energy: -33.685
flat angles C4'-P-C4' energy: -34.551
flat angles P-C4'-P energy: -14.554
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: 3
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -167.848386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.848386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.848386 (E_RNA)
where:
Base-Base interactions energy: -54.958
where: short stacking energy: -43.176
Base-Backbone interact. energy: 0.373
local terms energy: -113.263951
where:
bonds (distance) C4'-P energy: -35.771
bonds (distance) P-C4' energy: -42.056
flat angles C4'-P-C4' energy: -30.035
flat angles P-C4'-P energy: -9.227
tors. eta vs tors. theta energy: 3.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -678.698795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.698795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.698795 (E_RNA)
where:
Base-Base interactions energy: -455.599
where: short stacking energy: -203.566
Base-Backbone interact. energy: -1.364
local terms energy: -221.735266
where:
bonds (distance) C4'-P energy: -39.104
bonds (distance) P-C4' energy: -42.581
flat angles C4'-P-C4' energy: -41.671
flat angles P-C4'-P energy: -31.988
tors. eta vs tors. theta energy: -66.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -656.743349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.743349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.743349 (E_RNA)
where:
Base-Base interactions energy: -447.995
where: short stacking energy: -204.854
Base-Backbone interact. energy: -0.251
local terms energy: -208.497844
where:
bonds (distance) C4'-P energy: -36.596
bonds (distance) P-C4' energy: -40.613
flat angles C4'-P-C4' energy: -39.201
flat angles P-C4'-P energy: -28.306
tors. eta vs tors. theta energy: -63.782
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: 2
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -632.435921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.435921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.435921 (E_RNA)
where:
Base-Base interactions energy: -424.539
where: short stacking energy: -191.278
Base-Backbone interact. energy: 0.579
local terms energy: -208.475973
where:
bonds (distance) C4'-P energy: -27.849
bonds (distance) P-C4' energy: -41.177
flat angles C4'-P-C4' energy: -42.896
flat angles P-C4'-P energy: -36.011
tors. eta vs tors. theta energy: -60.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -597.944181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.944181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.944181 (E_RNA)
where:
Base-Base interactions energy: -388.884
where: short stacking energy: -178.211
Base-Backbone interact. energy: 0.370
local terms energy: -209.430510
where:
bonds (distance) C4'-P energy: -35.528
bonds (distance) P-C4' energy: -40.325
flat angles C4'-P-C4' energy: -43.172
flat angles P-C4'-P energy: -33.133
tors. eta vs tors. theta energy: -57.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -571.815919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.815919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.815919 (E_RNA)
where:
Base-Base interactions energy: -366.119
where: short stacking energy: -167.604
Base-Backbone interact. energy: -0.115
local terms energy: -205.582311
where:
bonds (distance) C4'-P energy: -40.496
bonds (distance) P-C4' energy: -38.943
flat angles C4'-P-C4' energy: -43.085
flat angles P-C4'-P energy: -28.600
tors. eta vs tors. theta energy: -54.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -548.366998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.366998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.366998 (E_RNA)
where:
Base-Base interactions energy: -349.773
where: short stacking energy: -170.838
Base-Backbone interact. energy: -0.252
local terms energy: -198.342057
where:
bonds (distance) C4'-P energy: -38.063
bonds (distance) P-C4' energy: -33.009
flat angles C4'-P-C4' energy: -42.369
flat angles P-C4'-P energy: -28.679
tors. eta vs tors. theta energy: -56.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -287.273607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.273607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.273607 (E_RNA)
where:
Base-Base interactions energy: -154.815
where: short stacking energy: -93.496
Base-Backbone interact. energy: -0.519
local terms energy: -131.939763
where:
bonds (distance) C4'-P energy: -29.898
bonds (distance) P-C4' energy: -34.681
flat angles C4'-P-C4' energy: -34.757
flat angles P-C4'-P energy: -16.351
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: 8, replica: 10
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -202.383106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.383106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.383106 (E_RNA)
where:
Base-Base interactions energy: -88.461
where: short stacking energy: -68.115
Base-Backbone interact. energy: 0.023
local terms energy: -113.944510
where:
bonds (distance) C4'-P energy: -37.795
bonds (distance) P-C4' energy: -24.297
flat angles C4'-P-C4' energy: -33.527
flat angles P-C4'-P energy: -21.573
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: 9, replica: 5
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -192.781757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.781757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.781757 (E_RNA)
where:
Base-Base interactions energy: -78.280
where: short stacking energy: -62.048
Base-Backbone interact. energy: -0.536
local terms energy: -113.965712
where:
bonds (distance) C4'-P energy: -25.171
bonds (distance) P-C4' energy: -36.515
flat angles C4'-P-C4' energy: -28.695
flat angles P-C4'-P energy: -22.225
tors. eta vs tors. theta energy: -1.360
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: 10, replica: 3
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -164.924237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.924237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.924237 (E_RNA)
where:
Base-Base interactions energy: -51.071
where: short stacking energy: -46.186
Base-Backbone interact. energy: -0.621
local terms energy: -113.232549
where:
bonds (distance) C4'-P energy: -27.150
bonds (distance) P-C4' energy: -39.498
flat angles C4'-P-C4' energy: -31.027
flat angles P-C4'-P energy: -15.480
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: 6
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -663.771565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.771565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.771565 (E_RNA)
where:
Base-Base interactions energy: -446.471
where: short stacking energy: -190.683
Base-Backbone interact. energy: -0.323
local terms energy: -216.977334
where:
bonds (distance) C4'-P energy: -39.585
bonds (distance) P-C4' energy: -36.179
flat angles C4'-P-C4' energy: -47.623
flat angles P-C4'-P energy: -31.192
tors. eta vs tors. theta energy: -62.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -662.415575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.415575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.415575 (E_RNA)
where:
Base-Base interactions energy: -441.337
where: short stacking energy: -199.169
Base-Backbone interact. energy: -0.715
local terms energy: -220.363436
where:
bonds (distance) C4'-P energy: -37.809
bonds (distance) P-C4' energy: -39.633
flat angles C4'-P-C4' energy: -47.450
flat angles P-C4'-P energy: -31.621
tors. eta vs tors. theta energy: -63.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -616.488744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.488744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.488744 (E_RNA)
where:
Base-Base interactions energy: -416.511
where: short stacking energy: -190.588
Base-Backbone interact. energy: -0.576
local terms energy: -199.401363
where:
bonds (distance) C4'-P energy: -31.010
bonds (distance) P-C4' energy: -42.427
flat angles C4'-P-C4' energy: -40.554
flat angles P-C4'-P energy: -28.560
tors. eta vs tors. theta energy: -56.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -602.086793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.086793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.086793 (E_RNA)
where:
Base-Base interactions energy: -396.916
where: short stacking energy: -180.653
Base-Backbone interact. energy: -0.972
local terms energy: -204.198688
where:
bonds (distance) C4'-P energy: -37.533
bonds (distance) P-C4' energy: -34.581
flat angles C4'-P-C4' energy: -48.278
flat angles P-C4'-P energy: -29.537
tors. eta vs tors. theta energy: -54.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -554.242381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.242381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.242381 (E_RNA)
where:
Base-Base interactions energy: -358.867
where: short stacking energy: -175.243
Base-Backbone interact. energy: -0.965
local terms energy: -194.410449
where:
bonds (distance) C4'-P energy: -37.194
bonds (distance) P-C4' energy: -33.849
flat angles C4'-P-C4' energy: -38.256
flat angles P-C4'-P energy: -34.593
tors. eta vs tors. theta energy: -50.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -544.664532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.664532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.664532 (E_RNA)
where:
Base-Base interactions energy: -352.965
where: short stacking energy: -170.414
Base-Backbone interact. energy: -0.410
local terms energy: -191.289347
where:
bonds (distance) C4'-P energy: -38.315
bonds (distance) P-C4' energy: -36.085
flat angles C4'-P-C4' energy: -33.231
flat angles P-C4'-P energy: -29.211
tors. eta vs tors. theta energy: -54.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -211.542985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.542985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.542985 (E_RNA)
where:
Base-Base interactions energy: -94.416
where: short stacking energy: -60.370
Base-Backbone interact. energy: -0.654
local terms energy: -116.472304
where:
bonds (distance) C4'-P energy: -25.166
bonds (distance) P-C4' energy: -31.792
flat angles C4'-P-C4' energy: -28.883
flat angles P-C4'-P energy: -28.421
tors. eta vs tors. theta energy: -2.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -213.264976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.264976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.264976 (E_RNA)
where:
Base-Base interactions energy: -91.444
where: short stacking energy: -64.283
Base-Backbone interact. energy: -0.613
local terms energy: -121.207581
where:
bonds (distance) C4'-P energy: -30.123
bonds (distance) P-C4' energy: -30.020
flat angles C4'-P-C4' energy: -40.408
flat angles P-C4'-P energy: -16.339
tors. eta vs tors. theta energy: -4.317
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: 5
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -204.951479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.951479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.951479 (E_RNA)
where:
Base-Base interactions energy: -87.621
where: short stacking energy: -62.092
Base-Backbone interact. energy: 0.537
local terms energy: -117.867469
where:
bonds (distance) C4'-P energy: -39.210
bonds (distance) P-C4' energy: -40.108
flat angles C4'-P-C4' energy: -24.332
flat angles P-C4'-P energy: -12.499
tors. eta vs tors. theta energy: -1.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -171.848826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.848826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.848826 (E_RNA)
where:
Base-Base interactions energy: -68.162
where: short stacking energy: -52.820
Base-Backbone interact. energy: -0.708
local terms energy: -102.978509
where:
bonds (distance) C4'-P energy: -30.750
bonds (distance) P-C4' energy: -36.381
flat angles C4'-P-C4' energy: -22.578
flat angles P-C4'-P energy: -18.679
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: 6
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -670.471634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.471634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.471634 (E_RNA)
where:
Base-Base interactions energy: -443.017
where: short stacking energy: -201.098
Base-Backbone interact. energy: -1.579
local terms energy: -225.875234
where:
bonds (distance) C4'-P energy: -39.959
bonds (distance) P-C4' energy: -48.081
flat angles C4'-P-C4' energy: -43.295
flat angles P-C4'-P energy: -28.609
tors. eta vs tors. theta energy: -65.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -664.445874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.445874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.445874 (E_RNA)
where:
Base-Base interactions energy: -450.546
where: short stacking energy: -205.645
Base-Backbone interact. energy: 0.390
local terms energy: -214.289443
where:
bonds (distance) C4'-P energy: -45.635
bonds (distance) P-C4' energy: -40.260
flat angles C4'-P-C4' energy: -40.142
flat angles P-C4'-P energy: -23.918
tors. eta vs tors. theta energy: -64.334
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: 3, replica: 2
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -616.886834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.886834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.886834 (E_RNA)
where:
Base-Base interactions energy: -411.263
where: short stacking energy: -179.178
Base-Backbone interact. energy: -0.348
local terms energy: -205.275152
where:
bonds (distance) C4'-P energy: -27.719
bonds (distance) P-C4' energy: -40.662
flat angles C4'-P-C4' energy: -47.929
flat angles P-C4'-P energy: -30.834
tors. eta vs tors. theta energy: -58.131
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: 9
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -601.873872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.873872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.873872 (E_RNA)
where:
Base-Base interactions energy: -410.665
where: short stacking energy: -178.492
Base-Backbone interact. energy: 0.058
local terms energy: -191.266505
where:
bonds (distance) C4'-P energy: -35.382
bonds (distance) P-C4' energy: -41.671
flat angles C4'-P-C4' energy: -36.887
flat angles P-C4'-P energy: -23.808
tors. eta vs tors. theta energy: -53.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -555.556346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.556346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.556346 (E_RNA)
where:
Base-Base interactions energy: -350.852
where: short stacking energy: -172.311
Base-Backbone interact. energy: -0.019
local terms energy: -204.685218
where:
bonds (distance) C4'-P energy: -39.670
bonds (distance) P-C4' energy: -39.708
flat angles C4'-P-C4' energy: -44.563
flat angles P-C4'-P energy: -26.727
tors. eta vs tors. theta energy: -54.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -550.890692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.890692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.890692 (E_RNA)
where:
Base-Base interactions energy: -368.061
where: short stacking energy: -164.216
Base-Backbone interact. energy: -1.252
local terms energy: -181.576860
where:
bonds (distance) C4'-P energy: -38.726
bonds (distance) P-C4' energy: -33.640
flat angles C4'-P-C4' energy: -36.096
flat angles P-C4'-P energy: -21.218
tors. eta vs tors. theta energy: -51.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -219.449564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.449564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.449564 (E_RNA)
where:
Base-Base interactions energy: -70.682
where: short stacking energy: -69.131
Base-Backbone interact. energy: 0.847
local terms energy: -149.613869
where:
bonds (distance) C4'-P energy: -32.823
bonds (distance) P-C4' energy: -37.557
flat angles C4'-P-C4' energy: -38.183
flat angles P-C4'-P energy: -22.245
tors. eta vs tors. theta energy: -18.806
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: 5
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -204.747686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.747686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.747686 (E_RNA)
where:
Base-Base interactions energy: -84.199
where: short stacking energy: -58.543
Base-Backbone interact. energy: -0.219
local terms energy: -120.329950
where:
bonds (distance) C4'-P energy: -33.693
bonds (distance) P-C4' energy: -37.415
flat angles C4'-P-C4' energy: -38.148
flat angles P-C4'-P energy: -8.600
tors. eta vs tors. theta energy: -2.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -189.785357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.785357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.785357 (E_RNA)
where:
Base-Base interactions energy: -61.982
where: short stacking energy: -53.358
Base-Backbone interact. energy: -1.043
local terms energy: -126.760784
where:
bonds (distance) C4'-P energy: -28.563
bonds (distance) P-C4' energy: -40.011
flat angles C4'-P-C4' energy: -31.052
flat angles P-C4'-P energy: -21.399
tors. eta vs tors. theta energy: -5.736
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: 3
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -158.960135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.960135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.960135 (E_RNA)
where:
Base-Base interactions energy: -55.437
where: short stacking energy: -54.228
Base-Backbone interact. energy: 1.711
local terms energy: -105.234859
where:
bonds (distance) C4'-P energy: -35.911
bonds (distance) P-C4' energy: -32.420
flat angles C4'-P-C4' energy: -26.114
flat angles P-C4'-P energy: -10.356
tors. eta vs tors. theta energy: -0.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -681.842114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.842114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.842114 (E_RNA)
where:
Base-Base interactions energy: -463.869
where: short stacking energy: -217.615
Base-Backbone interact. energy: 0.047
local terms energy: -218.020375
where:
bonds (distance) C4'-P energy: -36.679
bonds (distance) P-C4' energy: -40.054
flat angles C4'-P-C4' energy: -43.237
flat angles P-C4'-P energy: -30.159
tors. eta vs tors. theta energy: -67.891
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: 4
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -650.398798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.398798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.398798 (E_RNA)
where:
Base-Base interactions energy: -440.305
where: short stacking energy: -191.656
Base-Backbone interact. energy: 0.724
local terms energy: -210.817907
where:
bonds (distance) C4'-P energy: -40.892
bonds (distance) P-C4' energy: -39.387
flat angles C4'-P-C4' energy: -41.885
flat angles P-C4'-P energy: -29.159
tors. eta vs tors. theta energy: -59.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -629.077552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.077552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.077552 (E_RNA)
where:
Base-Base interactions energy: -425.019
where: short stacking energy: -182.501
Base-Backbone interact. energy: -0.848
local terms energy: -203.211370
where:
bonds (distance) C4'-P energy: -35.836
bonds (distance) P-C4' energy: -39.917
flat angles C4'-P-C4' energy: -44.492
flat angles P-C4'-P energy: -29.445
tors. eta vs tors. theta energy: -53.521
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: 4, replica: 9
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -612.223688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.223688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.223688 (E_RNA)
where:
Base-Base interactions energy: -423.323
where: short stacking energy: -182.127
Base-Backbone interact. energy: -0.872
local terms energy: -188.028609
where:
bonds (distance) C4'-P energy: -32.738
bonds (distance) P-C4' energy: -41.524
flat angles C4'-P-C4' energy: -40.869
flat angles P-C4'-P energy: -23.944
tors. eta vs tors. theta energy: -48.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -574.842573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.842573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.842573 (E_RNA)
where:
Base-Base interactions energy: -383.944
where: short stacking energy: -186.894
Base-Backbone interact. energy: -0.380
local terms energy: -190.518051
where:
bonds (distance) C4'-P energy: -38.239
bonds (distance) P-C4' energy: -30.407
flat angles C4'-P-C4' energy: -35.058
flat angles P-C4'-P energy: -33.702
tors. eta vs tors. theta energy: -53.113
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: 7
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -558.492853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.492853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.492853 (E_RNA)
where:
Base-Base interactions energy: -363.207
where: short stacking energy: -175.742
Base-Backbone interact. energy: -0.642
local terms energy: -194.644054
where:
bonds (distance) C4'-P energy: -35.736
bonds (distance) P-C4' energy: -43.768
flat angles C4'-P-C4' energy: -40.217
flat angles P-C4'-P energy: -21.603
tors. eta vs tors. theta energy: -53.320
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: 7, replica: 10
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -226.452425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.452425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.452425 (E_RNA)
where:
Base-Base interactions energy: -93.004
where: short stacking energy: -81.222
Base-Backbone interact. energy: 4.613
local terms energy: -138.062078
where:
bonds (distance) C4'-P energy: -31.902
bonds (distance) P-C4' energy: -43.246
flat angles C4'-P-C4' energy: -31.816
flat angles P-C4'-P energy: -22.253
tors. eta vs tors. theta energy: -8.845
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: 5
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -202.160784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.160784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.160784 (E_RNA)
where:
Base-Base interactions energy: -68.363
where: short stacking energy: -35.835
Base-Backbone interact. energy: 0.068
local terms energy: -133.865628
where:
bonds (distance) C4'-P energy: -33.906
bonds (distance) P-C4' energy: -35.948
flat angles C4'-P-C4' energy: -34.260
flat angles P-C4'-P energy: -27.974
tors. eta vs tors. theta energy: -1.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -172.289861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.289861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.289861 (E_RNA)
where:
Base-Base interactions energy: -63.369
where: short stacking energy: -50.217
Base-Backbone interact. energy: 0.175
local terms energy: -109.096020
where:
bonds (distance) C4'-P energy: -28.163
bonds (distance) P-C4' energy: -27.634
flat angles C4'-P-C4' energy: -32.322
flat angles P-C4'-P energy: -25.012
tors. eta vs tors. theta energy: 4.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -177.986236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.986236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.986236 (E_RNA)
where:
Base-Base interactions energy: -47.738
where: short stacking energy: -35.155
Base-Backbone interact. energy: -0.826
local terms energy: -129.421765
where:
bonds (distance) C4'-P energy: -38.316
bonds (distance) P-C4' energy: -41.822
flat angles C4'-P-C4' energy: -27.752
flat angles P-C4'-P energy: -23.161
tors. eta vs tors. theta energy: 1.629
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: 6
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -671.490084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.490084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.490084 (E_RNA)
where:
Base-Base interactions energy: -441.156
where: short stacking energy: -199.826
Base-Backbone interact. energy: -0.713
local terms energy: -229.621770
where:
bonds (distance) C4'-P energy: -40.551
bonds (distance) P-C4' energy: -44.099
flat angles C4'-P-C4' energy: -44.860
flat angles P-C4'-P energy: -32.723
tors. eta vs tors. theta energy: -67.390
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: 4
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -657.325676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.325676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.325676 (E_RNA)
where:
Base-Base interactions energy: -442.626
where: short stacking energy: -195.299
Base-Backbone interact. energy: -0.419
local terms energy: -214.280894
where:
bonds (distance) C4'-P energy: -42.447
bonds (distance) P-C4' energy: -36.353
flat angles C4'-P-C4' energy: -46.345
flat angles P-C4'-P energy: -28.302
tors. eta vs tors. theta energy: -60.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -627.996292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.996292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.996292 (E_RNA)
where:
Base-Base interactions energy: -425.986
where: short stacking energy: -182.883
Base-Backbone interact. energy: -0.555
local terms energy: -201.455425
where:
bonds (distance) C4'-P energy: -37.330
bonds (distance) P-C4' energy: -32.225
flat angles C4'-P-C4' energy: -42.800
flat angles P-C4'-P energy: -30.312
tors. eta vs tors. theta energy: -58.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -584.004551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.004551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.004551 (E_RNA)
where:
Base-Base interactions energy: -384.073
where: short stacking energy: -169.663
Base-Backbone interact. energy: -1.020
local terms energy: -198.911723
where:
bonds (distance) C4'-P energy: -36.781
bonds (distance) P-C4' energy: -38.145
flat angles C4'-P-C4' energy: -39.742
flat angles P-C4'-P energy: -27.781
tors. eta vs tors. theta energy: -56.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -561.508320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.508320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.508320 (E_RNA)
where:
Base-Base interactions energy: -378.223
where: short stacking energy: -180.653
Base-Backbone interact. energy: -0.355
local terms energy: -182.930154
where:
bonds (distance) C4'-P energy: -33.072
bonds (distance) P-C4' energy: -35.078
flat angles C4'-P-C4' energy: -33.996
flat angles P-C4'-P energy: -23.615
tors. eta vs tors. theta energy: -57.169
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: 7
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -526.837947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.837947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.837947 (E_RNA)
where:
Base-Base interactions energy: -348.380
where: short stacking energy: -156.085
Base-Backbone interact. energy: -0.186
local terms energy: -178.272027
where:
bonds (distance) C4'-P energy: -38.378
bonds (distance) P-C4' energy: -33.935
flat angles C4'-P-C4' energy: -34.472
flat angles P-C4'-P energy: -27.050
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: 7, replica: 10
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -222.787809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.787809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.787809 (E_RNA)
where:
Base-Base interactions energy: -96.373
where: short stacking energy: -53.546
Base-Backbone interact. energy: 0.238
local terms energy: -126.652602
where:
bonds (distance) C4'-P energy: -38.184
bonds (distance) P-C4' energy: -40.228
flat angles C4'-P-C4' energy: -32.021
flat angles P-C4'-P energy: -16.895
tors. eta vs tors. theta energy: 0.676
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: 8, replica: 5
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -188.720878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.720878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.720878 (E_RNA)
where:
Base-Base interactions energy: -75.843
where: short stacking energy: -67.703
Base-Backbone interact. energy: -1.464
local terms energy: -111.414297
where:
bonds (distance) C4'-P energy: -36.534
bonds (distance) P-C4' energy: -35.737
flat angles C4'-P-C4' energy: -29.618
flat angles P-C4'-P energy: -13.168
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: 3
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -180.370659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.370659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.370659 (E_RNA)
where:
Base-Base interactions energy: -67.241
where: short stacking energy: -46.299
Base-Backbone interact. energy: -0.240
local terms energy: -112.889731
where:
bonds (distance) C4'-P energy: -41.814
bonds (distance) P-C4' energy: -32.163
flat angles C4'-P-C4' energy: -19.546
flat angles P-C4'-P energy: -19.240
tors. eta vs tors. theta energy: -0.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -171.548571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.548571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.548571 (E_RNA)
where:
Base-Base interactions energy: -51.441
where: short stacking energy: -43.598
Base-Backbone interact. energy: -1.013
local terms energy: -119.095047
where:
bonds (distance) C4'-P energy: -37.748
bonds (distance) P-C4' energy: -33.825
flat angles C4'-P-C4' energy: -28.943
flat angles P-C4'-P energy: -21.310
tors. eta vs tors. theta energy: 2.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -684.457812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.457812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.457812 (E_RNA)
where:
Base-Base interactions energy: -459.947
where: short stacking energy: -218.727
Base-Backbone interact. energy: -1.220
local terms energy: -223.290815
where:
bonds (distance) C4'-P energy: -43.003
bonds (distance) P-C4' energy: -40.083
flat angles C4'-P-C4' energy: -39.213
flat angles P-C4'-P energy: -35.362
tors. eta vs tors. theta energy: -65.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -675.316341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.316341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.316341 (E_RNA)
where:
Base-Base interactions energy: -446.621
where: short stacking energy: -205.894
Base-Backbone interact. energy: -0.106
local terms energy: -228.589578
where:
bonds (distance) C4'-P energy: -40.970
bonds (distance) P-C4' energy: -45.495
flat angles C4'-P-C4' energy: -42.594
flat angles P-C4'-P energy: -33.897
tors. eta vs tors. theta energy: -65.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -641.548225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.548225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.548225 (E_RNA)
where:
Base-Base interactions energy: -440.694
where: short stacking energy: -182.565
Base-Backbone interact. energy: -0.990
local terms energy: -199.864375
where:
bonds (distance) C4'-P energy: -33.780
bonds (distance) P-C4' energy: -42.237
flat angles C4'-P-C4' energy: -39.184
flat angles P-C4'-P energy: -32.178
tors. eta vs tors. theta energy: -52.486
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: 9
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -587.002920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.002920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.002920 (E_RNA)
where:
Base-Base interactions energy: -393.443
where: short stacking energy: -173.495
Base-Backbone interact. energy: -1.360
local terms energy: -192.199822
where:
bonds (distance) C4'-P energy: -27.852
bonds (distance) P-C4' energy: -38.947
flat angles C4'-P-C4' energy: -43.368
flat angles P-C4'-P energy: -28.606
tors. eta vs tors. theta energy: -53.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -571.758497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.758497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.758497 (E_RNA)
where:
Base-Base interactions energy: -370.542
where: short stacking energy: -171.792
Base-Backbone interact. energy: -0.374
local terms energy: -200.842408
where:
bonds (distance) C4'-P energy: -34.717
bonds (distance) P-C4' energy: -36.891
flat angles C4'-P-C4' energy: -44.415
flat angles P-C4'-P energy: -29.467
tors. eta vs tors. theta energy: -55.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -538.176314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.176314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.176314 (E_RNA)
where:
Base-Base interactions energy: -350.118
where: short stacking energy: -167.027
Base-Backbone interact. energy: 0.104
local terms energy: -188.162858
where:
bonds (distance) C4'-P energy: -37.166
bonds (distance) P-C4' energy: -30.111
flat angles C4'-P-C4' energy: -42.665
flat angles P-C4'-P energy: -26.078
tors. eta vs tors. theta energy: -52.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -200.447542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.447542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.447542 (E_RNA)
where:
Base-Base interactions energy: -87.699
where: short stacking energy: -81.126
Base-Backbone interact. energy: 6.293
local terms energy: -119.041145
where:
bonds (distance) C4'-P energy: -41.626
bonds (distance) P-C4' energy: -28.571
flat angles C4'-P-C4' energy: -38.143
flat angles P-C4'-P energy: -16.245
tors. eta vs tors. theta energy: 5.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -199.351659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.351659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.351659 (E_RNA)
where:
Base-Base interactions energy: -65.619
where: short stacking energy: -49.133
Base-Backbone interact. energy: 0.045
local terms energy: -133.777155
where:
bonds (distance) C4'-P energy: -43.510
bonds (distance) P-C4' energy: -30.956
flat angles C4'-P-C4' energy: -45.349
flat angles P-C4'-P energy: -13.512
tors. eta vs tors. theta energy: -0.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -182.248842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.248842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.248842 (E_RNA)
where:
Base-Base interactions energy: -80.676
where: short stacking energy: -58.440
Base-Backbone interact. energy: 0.666
local terms energy: -102.238322
where:
bonds (distance) C4'-P energy: -23.553
bonds (distance) P-C4' energy: -32.005
flat angles C4'-P-C4' energy: -32.426
flat angles P-C4'-P energy: -17.025
tors. eta vs tors. theta energy: 2.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -179.851900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.851900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.851900 (E_RNA)
where:
Base-Base interactions energy: -52.617
where: short stacking energy: -44.741
Base-Backbone interact. energy: -0.852
local terms energy: -126.383111
where:
bonds (distance) C4'-P energy: -45.978
bonds (distance) P-C4' energy: -39.797
flat angles C4'-P-C4' energy: -33.660
flat angles P-C4'-P energy: -10.527
tors. eta vs tors. theta energy: 3.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -665.311764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.311764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.311764 (E_RNA)
where:
Base-Base interactions energy: -450.631
where: short stacking energy: -195.031
Base-Backbone interact. energy: 0.018
local terms energy: -214.698471
where:
bonds (distance) C4'-P energy: -35.664
bonds (distance) P-C4' energy: -45.518
flat angles C4'-P-C4' energy: -45.699
flat angles P-C4'-P energy: -30.059
tors. eta vs tors. theta energy: -57.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -665.467089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.467089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.467089 (E_RNA)
where:
Base-Base interactions energy: -451.075
where: short stacking energy: -208.919
Base-Backbone interact. energy: -1.634
local terms energy: -212.758308
where:
bonds (distance) C4'-P energy: -38.525
bonds (distance) P-C4' energy: -32.011
flat angles C4'-P-C4' energy: -45.479
flat angles P-C4'-P energy: -29.794
tors. eta vs tors. theta energy: -66.949
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: 2
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -627.502596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.502596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.502596 (E_RNA)
where:
Base-Base interactions energy: -427.036
where: short stacking energy: -177.606
Base-Backbone interact. energy: -0.423
local terms energy: -200.043591
where:
bonds (distance) C4'-P energy: -38.394
bonds (distance) P-C4' energy: -41.566
flat angles C4'-P-C4' energy: -38.551
flat angles P-C4'-P energy: -26.740
tors. eta vs tors. theta energy: -54.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -590.719830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.719830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.719830 (E_RNA)
where:
Base-Base interactions energy: -381.734
where: short stacking energy: -175.076
Base-Backbone interact. energy: -0.861
local terms energy: -208.124541
where:
bonds (distance) C4'-P energy: -41.856
bonds (distance) P-C4' energy: -33.601
flat angles C4'-P-C4' energy: -41.861
flat angles P-C4'-P energy: -36.294
tors. eta vs tors. theta energy: -54.512
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: 7
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -559.222237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.222237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.222237 (E_RNA)
where:
Base-Base interactions energy: -378.321
where: short stacking energy: -170.785
Base-Backbone interact. energy: -0.257
local terms energy: -180.644009
where:
bonds (distance) C4'-P energy: -36.287
bonds (distance) P-C4' energy: -26.562
flat angles C4'-P-C4' energy: -38.517
flat angles P-C4'-P energy: -28.547
tors. eta vs tors. theta energy: -50.732
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: 8
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -526.195631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.195631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.195631 (E_RNA)
where:
Base-Base interactions energy: -342.486
where: short stacking energy: -155.993
Base-Backbone interact. energy: -0.410
local terms energy: -183.299252
where:
bonds (distance) C4'-P energy: -34.796
bonds (distance) P-C4' energy: -28.658
flat angles C4'-P-C4' energy: -42.014
flat angles P-C4'-P energy: -33.384
tors. eta vs tors. theta energy: -44.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -207.190300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.190300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.190300 (E_RNA)
where:
Base-Base interactions energy: -68.260
where: short stacking energy: -65.831
Base-Backbone interact. energy: -1.754
local terms energy: -137.176376
where:
bonds (distance) C4'-P energy: -35.366
bonds (distance) P-C4' energy: -35.204
flat angles C4'-P-C4' energy: -38.103
flat angles P-C4'-P energy: -23.222
tors. eta vs tors. theta energy: -5.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -202.344669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.344669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.344669 (E_RNA)
where:
Base-Base interactions energy: -85.665
where: short stacking energy: -60.030
Base-Backbone interact. energy: 0.190
local terms energy: -116.869467
where:
bonds (distance) C4'-P energy: -32.479
bonds (distance) P-C4' energy: -41.590
flat angles C4'-P-C4' energy: -24.399
flat angles P-C4'-P energy: -19.402
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: 9, replica: 1
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -176.614034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.614034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.614034 (E_RNA)
where:
Base-Base interactions energy: -66.218
where: short stacking energy: -42.358
Base-Backbone interact. energy: -0.184
local terms energy: -110.212054
where:
bonds (distance) C4'-P energy: -35.065
bonds (distance) P-C4' energy: -25.473
flat angles C4'-P-C4' energy: -37.307
flat angles P-C4'-P energy: -21.208
tors. eta vs tors. theta energy: 8.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -181.002536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.002536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.002536 (E_RNA)
where:
Base-Base interactions energy: -61.089
where: short stacking energy: -45.825
Base-Backbone interact. energy: -0.567
local terms energy: -119.346038
where:
bonds (distance) C4'-P energy: -34.623
bonds (distance) P-C4' energy: -39.028
flat angles C4'-P-C4' energy: -29.559
flat angles P-C4'-P energy: -18.892
tors. eta vs tors. theta energy: 2.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -667.344135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.344135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.344135 (E_RNA)
where:
Base-Base interactions energy: -448.260
where: short stacking energy: -209.094
Base-Backbone interact. energy: -0.622
local terms energy: -218.463032
where:
bonds (distance) C4'-P energy: -40.230
bonds (distance) P-C4' energy: -40.006
flat angles C4'-P-C4' energy: -43.028
flat angles P-C4'-P energy: -33.150
tors. eta vs tors. theta energy: -62.048
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: 2, replica: 6
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -667.848297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.848297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.848297 (E_RNA)
where:
Base-Base interactions energy: -448.064
where: short stacking energy: -207.039
Base-Backbone interact. energy: -0.254
local terms energy: -219.530230
where:
bonds (distance) C4'-P energy: -41.127
bonds (distance) P-C4' energy: -37.103
flat angles C4'-P-C4' energy: -46.833
flat angles P-C4'-P energy: -25.563
tors. eta vs tors. theta energy: -68.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -643.424456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.424456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.424456 (E_RNA)
where:
Base-Base interactions energy: -428.679
where: short stacking energy: -195.707
Base-Backbone interact. energy: 0.556
local terms energy: -215.300861
where:
bonds (distance) C4'-P energy: -29.327
bonds (distance) P-C4' energy: -45.551
flat angles C4'-P-C4' energy: -47.277
flat angles P-C4'-P energy: -29.325
tors. eta vs tors. theta energy: -63.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -590.423736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.423736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.423736 (E_RNA)
where:
Base-Base interactions energy: -381.138
where: short stacking energy: -173.537
Base-Backbone interact. energy: -0.352
local terms energy: -208.933102
where:
bonds (distance) C4'-P energy: -36.849
bonds (distance) P-C4' energy: -41.048
flat angles C4'-P-C4' energy: -45.126
flat angles P-C4'-P energy: -30.613
tors. eta vs tors. theta energy: -55.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -542.754426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.754426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.754426 (E_RNA)
where:
Base-Base interactions energy: -354.283
where: short stacking energy: -162.415
Base-Backbone interact. energy: -0.103
local terms energy: -188.368308
where:
bonds (distance) C4'-P energy: -32.325
bonds (distance) P-C4' energy: -37.065
flat angles C4'-P-C4' energy: -42.084
flat angles P-C4'-P energy: -22.464
tors. eta vs tors. theta energy: -54.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -544.633266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.633266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.633266 (E_RNA)
where:
Base-Base interactions energy: -361.578
where: short stacking energy: -180.544
Base-Backbone interact. energy: 1.994
local terms energy: -185.049208
where:
bonds (distance) C4'-P energy: -35.615
bonds (distance) P-C4' energy: -43.798
flat angles C4'-P-C4' energy: -32.476
flat angles P-C4'-P energy: -28.439
tors. eta vs tors. theta energy: -44.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -221.346886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.346886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.346886 (E_RNA)
where:
Base-Base interactions energy: -84.843
where: short stacking energy: -53.825
Base-Backbone interact. energy: -0.973
local terms energy: -135.531108
where:
bonds (distance) C4'-P energy: -41.475
bonds (distance) P-C4' energy: -35.444
flat angles C4'-P-C4' energy: -33.629
flat angles P-C4'-P energy: -17.081
tors. eta vs tors. theta energy: -7.901
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: 5
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -195.327931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.327931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.327931 (E_RNA)
where:
Base-Base interactions energy: -64.203
where: short stacking energy: -54.252
Base-Backbone interact. energy: -0.925
local terms energy: -130.199785
where:
bonds (distance) C4'-P energy: -36.201
bonds (distance) P-C4' energy: -38.624
flat angles C4'-P-C4' energy: -30.057
flat angles P-C4'-P energy: -16.971
tors. eta vs tors. theta energy: -8.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -185.163776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.163776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.163776 (E_RNA)
where:
Base-Base interactions energy: -59.392
where: short stacking energy: -57.488
Base-Backbone interact. energy: -0.639
local terms energy: -125.132613
where:
bonds (distance) C4'-P energy: -32.714
bonds (distance) P-C4' energy: -39.734
flat angles C4'-P-C4' energy: -26.745
flat angles P-C4'-P energy: -25.116
tors. eta vs tors. theta energy: -0.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -166.421223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.421223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.421223 (E_RNA)
where:
Base-Base interactions energy: -61.325
where: short stacking energy: -49.224
Base-Backbone interact. energy: -0.808
local terms energy: -104.288093
where:
bonds (distance) C4'-P energy: -26.399
bonds (distance) P-C4' energy: -35.962
flat angles C4'-P-C4' energy: -23.523
flat angles P-C4'-P energy: -20.692
tors. eta vs tors. theta energy: 2.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -672.252158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.252158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.252158 (E_RNA)
where:
Base-Base interactions energy: -451.252
where: short stacking energy: -209.322
Base-Backbone interact. energy: 0.971
local terms energy: -221.970930
where:
bonds (distance) C4'-P energy: -36.820
bonds (distance) P-C4' energy: -44.919
flat angles C4'-P-C4' energy: -44.540
flat angles P-C4'-P energy: -30.317
tors. eta vs tors. theta energy: -65.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -646.536280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.536280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.536280 (E_RNA)
where:
Base-Base interactions energy: -425.621
where: short stacking energy: -194.096
Base-Backbone interact. energy: 0.180
local terms energy: -221.094550
where:
bonds (distance) C4'-P energy: -36.779
bonds (distance) P-C4' energy: -43.369
flat angles C4'-P-C4' energy: -47.796
flat angles P-C4'-P energy: -31.505
tors. eta vs tors. theta energy: -61.645
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: 6
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -636.889205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.889205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.889205 (E_RNA)
where:
Base-Base interactions energy: -428.669
where: short stacking energy: -196.328
Base-Backbone interact. energy: -0.187
local terms energy: -208.033390
where:
bonds (distance) C4'-P energy: -34.358
bonds (distance) P-C4' energy: -35.087
flat angles C4'-P-C4' energy: -43.762
flat angles P-C4'-P energy: -27.831
tors. eta vs tors. theta energy: -66.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -569.035768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.035768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.035768 (E_RNA)
where:
Base-Base interactions energy: -366.070
where: short stacking energy: -174.042
Base-Backbone interact. energy: -0.118
local terms energy: -202.847422
where:
bonds (distance) C4'-P energy: -37.434
bonds (distance) P-C4' energy: -41.381
flat angles C4'-P-C4' energy: -42.579
flat angles P-C4'-P energy: -23.693
tors. eta vs tors. theta energy: -57.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -536.758007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.758007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.758007 (E_RNA)
where:
Base-Base interactions energy: -349.252
where: short stacking energy: -160.576
Base-Backbone interact. energy: -0.789
local terms energy: -186.717160
where:
bonds (distance) C4'-P energy: -36.099
bonds (distance) P-C4' energy: -32.518
flat angles C4'-P-C4' energy: -40.075
flat angles P-C4'-P energy: -28.937
tors. eta vs tors. theta energy: -49.088
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: 7
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -536.801012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.801012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.801012 (E_RNA)
where:
Base-Base interactions energy: -355.583
where: short stacking energy: -172.819
Base-Backbone interact. energy: -0.311
local terms energy: -180.907375
where:
bonds (distance) C4'-P energy: -30.214
bonds (distance) P-C4' energy: -33.606
flat angles C4'-P-C4' energy: -36.502
flat angles P-C4'-P energy: -31.713
tors. eta vs tors. theta energy: -48.872
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: 10
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -226.955332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.955332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.955332 (E_RNA)
where:
Base-Base interactions energy: -90.032
where: short stacking energy: -69.152
Base-Backbone interact. energy: -0.881
local terms energy: -136.043167
where:
bonds (distance) C4'-P energy: -40.894
bonds (distance) P-C4' energy: -31.828
flat angles C4'-P-C4' energy: -36.632
flat angles P-C4'-P energy: -20.957
tors. eta vs tors. theta energy: -5.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -204.522186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.522186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.522186 (E_RNA)
where:
Base-Base interactions energy: -75.359
where: short stacking energy: -57.960
Base-Backbone interact. energy: 0.966
local terms energy: -130.129412
where:
bonds (distance) C4'-P energy: -31.373
bonds (distance) P-C4' energy: -35.414
flat angles C4'-P-C4' energy: -33.198
flat angles P-C4'-P energy: -20.346
tors. eta vs tors. theta energy: -9.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -186.708252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.708252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.708252 (E_RNA)
where:
Base-Base interactions energy: -69.595
where: short stacking energy: -50.896
Base-Backbone interact. energy: -0.723
local terms energy: -116.390252
where:
bonds (distance) C4'-P energy: -41.198
bonds (distance) P-C4' energy: -30.515
flat angles C4'-P-C4' energy: -33.353
flat angles P-C4'-P energy: -8.646
tors. eta vs tors. theta energy: -2.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -190.017173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.017173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.017173 (E_RNA)
where:
Base-Base interactions energy: -58.912
where: short stacking energy: -48.735
Base-Backbone interact. energy: -0.354
local terms energy: -130.751054
where:
bonds (distance) C4'-P energy: -33.948
bonds (distance) P-C4' energy: -42.414
flat angles C4'-P-C4' energy: -30.279
flat angles P-C4'-P energy: -22.851
tors. eta vs tors. theta energy: -1.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -656.845473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.845473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.845473 (E_RNA)
where:
Base-Base interactions energy: -433.987
where: short stacking energy: -189.583
Base-Backbone interact. energy: -0.571
local terms energy: -222.287407
where:
bonds (distance) C4'-P energy: -43.286
bonds (distance) P-C4' energy: -39.197
flat angles C4'-P-C4' energy: -40.527
flat angles P-C4'-P energy: -37.108
tors. eta vs tors. theta energy: -62.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -668.783575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.783575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.783575 (E_RNA)
where:
Base-Base interactions energy: -454.846
where: short stacking energy: -211.864
Base-Backbone interact. energy: -0.354
local terms energy: -213.583281
where:
bonds (distance) C4'-P energy: -37.250
bonds (distance) P-C4' energy: -37.518
flat angles C4'-P-C4' energy: -44.616
flat angles P-C4'-P energy: -28.448
tors. eta vs tors. theta energy: -65.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -629.350841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.350841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.350841 (E_RNA)
where:
Base-Base interactions energy: -419.649
where: short stacking energy: -189.724
Base-Backbone interact. energy: -0.088
local terms energy: -209.614203
where:
bonds (distance) C4'-P energy: -33.291
bonds (distance) P-C4' energy: -43.261
flat angles C4'-P-C4' energy: -43.814
flat angles P-C4'-P energy: -26.218
tors. eta vs tors. theta energy: -63.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -598.217062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.217062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.217062 (E_RNA)
where:
Base-Base interactions energy: -383.731
where: short stacking energy: -197.108
Base-Backbone interact. energy: -0.236
local terms energy: -214.249622
where:
bonds (distance) C4'-P energy: -34.792
bonds (distance) P-C4' energy: -41.674
flat angles C4'-P-C4' energy: -42.414
flat angles P-C4'-P energy: -32.570
tors. eta vs tors. theta energy: -62.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -555.007360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.007360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.007360 (E_RNA)
where:
Base-Base interactions energy: -359.790
where: short stacking energy: -180.448
Base-Backbone interact. energy: 0.169
local terms energy: -195.386796
where:
bonds (distance) C4'-P energy: -43.554
bonds (distance) P-C4' energy: -33.004
flat angles C4'-P-C4' energy: -36.990
flat angles P-C4'-P energy: -24.014
tors. eta vs tors. theta energy: -57.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -538.022389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.022389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.022389 (E_RNA)
where:
Base-Base interactions energy: -340.681
where: short stacking energy: -166.166
Base-Backbone interact. energy: -0.623
local terms energy: -196.719062
where:
bonds (distance) C4'-P energy: -35.299
bonds (distance) P-C4' energy: -42.544
flat angles C4'-P-C4' energy: -43.742
flat angles P-C4'-P energy: -26.090
tors. eta vs tors. theta energy: -49.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -212.314731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.314731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.314731 (E_RNA)
where:
Base-Base interactions energy: -89.564
where: short stacking energy: -70.112
Base-Backbone interact. energy: -1.894
local terms energy: -120.856591
where:
bonds (distance) C4'-P energy: -28.665
bonds (distance) P-C4' energy: -32.406
flat angles C4'-P-C4' energy: -35.598
flat angles P-C4'-P energy: -22.380
tors. eta vs tors. theta energy: -1.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -236.508949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.508949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.508949 (E_RNA)
where:
Base-Base interactions energy: -89.151
where: short stacking energy: -73.696
Base-Backbone interact. energy: 0.545
local terms energy: -147.903254
where:
bonds (distance) C4'-P energy: -40.641
bonds (distance) P-C4' energy: -37.064
flat angles C4'-P-C4' energy: -31.666
flat angles P-C4'-P energy: -29.814
tors. eta vs tors. theta energy: -8.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -172.101972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.101972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.101972 (E_RNA)
where:
Base-Base interactions energy: -61.865
where: short stacking energy: -50.808
Base-Backbone interact. energy: -0.578
local terms energy: -109.658909
where:
bonds (distance) C4'-P energy: -35.522
bonds (distance) P-C4' energy: -32.907
flat angles C4'-P-C4' energy: -29.048
flat angles P-C4'-P energy: -16.815
tors. eta vs tors. theta energy: 4.633
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: 3
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -158.916618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.916618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.916618 (E_RNA)
where:
Base-Base interactions energy: -64.512
where: short stacking energy: -52.210
Base-Backbone interact. energy: 0.801
local terms energy: -95.205517
where:
bonds (distance) C4'-P energy: -25.858
bonds (distance) P-C4' energy: -38.490
flat angles C4'-P-C4' energy: -22.519
flat angles P-C4'-P energy: -3.947
tors. eta vs tors. theta energy: -4.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -667.363687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.363687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.363687 (E_RNA)
where:
Base-Base interactions energy: -454.056
where: short stacking energy: -199.294
Base-Backbone interact. energy: -1.330
local terms energy: -211.977898
where:
bonds (distance) C4'-P energy: -36.416
bonds (distance) P-C4' energy: -41.598
flat angles C4'-P-C4' energy: -42.624
flat angles P-C4'-P energy: -31.919
tors. eta vs tors. theta energy: -59.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -661.311750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.311750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.311750 (E_RNA)
where:
Base-Base interactions energy: -449.423
where: short stacking energy: -201.078
Base-Backbone interact. energy: -0.652
local terms energy: -211.236776
where:
bonds (distance) C4'-P energy: -36.917
bonds (distance) P-C4' energy: -37.301
flat angles C4'-P-C4' energy: -46.777
flat angles P-C4'-P energy: -28.270
tors. eta vs tors. theta energy: -61.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -628.246778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.246778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.246778 (E_RNA)
where:
Base-Base interactions energy: -417.800
where: short stacking energy: -194.938
Base-Backbone interact. energy: -0.146
local terms energy: -210.300314
where:
bonds (distance) C4'-P energy: -34.650
bonds (distance) P-C4' energy: -39.343
flat angles C4'-P-C4' energy: -44.931
flat angles P-C4'-P energy: -29.294
tors. eta vs tors. theta energy: -62.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -569.398690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.398690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.398690 (E_RNA)
where:
Base-Base interactions energy: -369.269
where: short stacking energy: -172.752
Base-Backbone interact. energy: -0.242
local terms energy: -199.887665
where:
bonds (distance) C4'-P energy: -38.479
bonds (distance) P-C4' energy: -41.164
flat angles C4'-P-C4' energy: -47.370
flat angles P-C4'-P energy: -27.255
tors. eta vs tors. theta energy: -45.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -554.761468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.761468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.761468 (E_RNA)
where:
Base-Base interactions energy: -353.781
where: short stacking energy: -166.513
Base-Backbone interact. energy: -0.192
local terms energy: -200.788901
where:
bonds (distance) C4'-P energy: -38.051
bonds (distance) P-C4' energy: -35.479
flat angles C4'-P-C4' energy: -46.398
flat angles P-C4'-P energy: -31.919
tors. eta vs tors. theta energy: -48.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -544.795891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.795891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.795891 (E_RNA)
where:
Base-Base interactions energy: -354.507
where: short stacking energy: -160.838
Base-Backbone interact. energy: -0.616
local terms energy: -189.672605
where:
bonds (distance) C4'-P energy: -34.984
bonds (distance) P-C4' energy: -36.255
flat angles C4'-P-C4' energy: -35.191
flat angles P-C4'-P energy: -34.048
tors. eta vs tors. theta energy: -49.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -215.654995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.654995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.654995 (E_RNA)
where:
Base-Base interactions energy: -79.796
where: short stacking energy: -70.897
Base-Backbone interact. energy: -0.110
local terms energy: -135.748501
where:
bonds (distance) C4'-P energy: -29.508
bonds (distance) P-C4' energy: -40.583
flat angles C4'-P-C4' energy: -42.047
flat angles P-C4'-P energy: -20.653
tors. eta vs tors. theta energy: -2.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -195.435973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.435973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.435973 (E_RNA)
where:
Base-Base interactions energy: -57.160
where: short stacking energy: -58.443
Base-Backbone interact. energy: -0.374
local terms energy: -137.902214
where:
bonds (distance) C4'-P energy: -37.899
bonds (distance) P-C4' energy: -35.185
flat angles C4'-P-C4' energy: -33.423
flat angles P-C4'-P energy: -18.267
tors. eta vs tors. theta energy: -13.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -164.066982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.066982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.066982 (E_RNA)
where:
Base-Base interactions energy: -39.713
where: short stacking energy: -39.913
Base-Backbone interact. energy: -1.094
local terms energy: -123.260023
where:
bonds (distance) C4'-P energy: -34.418
bonds (distance) P-C4' energy: -36.489
flat angles C4'-P-C4' energy: -30.855
flat angles P-C4'-P energy: -25.555
tors. eta vs tors. theta energy: 4.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -162.682654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.682654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.682654 (E_RNA)
where:
Base-Base interactions energy: -64.200
where: short stacking energy: -46.807
Base-Backbone interact. energy: -0.943
local terms energy: -97.540211
where:
bonds (distance) C4'-P energy: -31.551
bonds (distance) P-C4' energy: -28.698
flat angles C4'-P-C4' energy: -35.803
flat angles P-C4'-P energy: -9.367
tors. eta vs tors. theta energy: 7.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -664.644815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.644815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.644815 (E_RNA)
where:
Base-Base interactions energy: -447.332
where: short stacking energy: -193.358
Base-Backbone interact. energy: -1.723
local terms energy: -215.590348
where:
bonds (distance) C4'-P energy: -38.875
bonds (distance) P-C4' energy: -41.256
flat angles C4'-P-C4' energy: -41.527
flat angles P-C4'-P energy: -34.852
tors. eta vs tors. theta energy: -59.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -642.295339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.295339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.295339 (E_RNA)
where:
Base-Base interactions energy: -432.622
where: short stacking energy: -186.882
Base-Backbone interact. energy: -0.125
local terms energy: -209.548389
where:
bonds (distance) C4'-P energy: -37.146
bonds (distance) P-C4' energy: -44.048
flat angles C4'-P-C4' energy: -43.525
flat angles P-C4'-P energy: -27.662
tors. eta vs tors. theta energy: -57.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -602.882175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.882175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.882175 (E_RNA)
where:
Base-Base interactions energy: -388.075
where: short stacking energy: -183.911
Base-Backbone interact. energy: -0.723
local terms energy: -214.084144
where:
bonds (distance) C4'-P energy: -39.612
bonds (distance) P-C4' energy: -41.477
flat angles C4'-P-C4' energy: -43.572
flat angles P-C4'-P energy: -29.958
tors. eta vs tors. theta energy: -59.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -634.426427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.426427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.426427 (E_RNA)
where:
Base-Base interactions energy: -415.731
where: short stacking energy: -199.410
Base-Backbone interact. energy: -0.199
local terms energy: -218.495980
where:
bonds (distance) C4'-P energy: -42.383
bonds (distance) P-C4' energy: -37.377
flat angles C4'-P-C4' energy: -44.733
flat angles P-C4'-P energy: -31.846
tors. eta vs tors. theta energy: -62.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -559.420381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.420381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.420381 (E_RNA)
where:
Base-Base interactions energy: -354.984
where: short stacking energy: -166.824
Base-Backbone interact. energy: -0.093
local terms energy: -204.343679
where:
bonds (distance) C4'-P energy: -35.833
bonds (distance) P-C4' energy: -43.410
flat angles C4'-P-C4' energy: -45.297
flat angles P-C4'-P energy: -26.772
tors. eta vs tors. theta energy: -53.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -531.917749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.917749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.917749 (E_RNA)
where:
Base-Base interactions energy: -354.952
where: short stacking energy: -169.420
Base-Backbone interact. energy: -0.334
local terms energy: -176.631157
where:
bonds (distance) C4'-P energy: -28.771
bonds (distance) P-C4' energy: -32.127
flat angles C4'-P-C4' energy: -37.303
flat angles P-C4'-P energy: -27.777
tors. eta vs tors. theta energy: -50.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -214.823506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.823506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.823506 (E_RNA)
where:
Base-Base interactions energy: -80.435
where: short stacking energy: -59.372
Base-Backbone interact. energy: -2.083
local terms energy: -132.305609
where:
bonds (distance) C4'-P energy: -28.156
bonds (distance) P-C4' energy: -32.719
flat angles C4'-P-C4' energy: -33.697
flat angles P-C4'-P energy: -29.156
tors. eta vs tors. theta energy: -8.577
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: 8, replica: 10
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -216.994270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.994270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.994270 (E_RNA)
where:
Base-Base interactions energy: -75.657
where: short stacking energy: -62.324
Base-Backbone interact. energy: -0.469
local terms energy: -140.868897
where:
bonds (distance) C4'-P energy: -34.582
bonds (distance) P-C4' energy: -38.995
flat angles C4'-P-C4' energy: -35.701
flat angles P-C4'-P energy: -24.068
tors. eta vs tors. theta energy: -7.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -176.431768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.431768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.431768 (E_RNA)
where:
Base-Base interactions energy: -77.820
where: short stacking energy: -62.483
Base-Backbone interact. energy: 7.012
local terms energy: -105.623918
where:
bonds (distance) C4'-P energy: -25.304
bonds (distance) P-C4' energy: -34.035
flat angles C4'-P-C4' energy: -25.484
flat angles P-C4'-P energy: -17.458
tors. eta vs tors. theta energy: -3.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -175.460529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.460529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.460529 (E_RNA)
where:
Base-Base interactions energy: -70.995
where: short stacking energy: -54.136
Base-Backbone interact. energy: 0.013
local terms energy: -104.478207
where:
bonds (distance) C4'-P energy: -28.080
bonds (distance) P-C4' energy: -31.661
flat angles C4'-P-C4' energy: -34.228
flat angles P-C4'-P energy: -13.674
tors. eta vs tors. theta energy: 3.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -642.209435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.209435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.209435 (E_RNA)
where:
Base-Base interactions energy: -431.882
where: short stacking energy: -188.402
Base-Backbone interact. energy: -0.364
local terms energy: -209.962890
where:
bonds (distance) C4'-P energy: -44.874
bonds (distance) P-C4' energy: -33.508
flat angles C4'-P-C4' energy: -40.527
flat angles P-C4'-P energy: -30.776
tors. eta vs tors. theta energy: -60.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -663.702472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.702472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.702472 (E_RNA)
where:
Base-Base interactions energy: -444.834
where: short stacking energy: -203.522
Base-Backbone interact. energy: -0.664
local terms energy: -218.204302
where:
bonds (distance) C4'-P energy: -40.891
bonds (distance) P-C4' energy: -37.640
flat angles C4'-P-C4' energy: -46.996
flat angles P-C4'-P energy: -30.007
tors. eta vs tors. theta energy: -62.670
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: 8
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -604.963511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.963511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.963511 (E_RNA)
where:
Base-Base interactions energy: -397.124
where: short stacking energy: -207.633
Base-Backbone interact. energy: 0.054
local terms energy: -207.893992
where:
bonds (distance) C4'-P energy: -40.470
bonds (distance) P-C4' energy: -40.279
flat angles C4'-P-C4' energy: -38.500
flat angles P-C4'-P energy: -25.923
tors. eta vs tors. theta energy: -62.722
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: 6
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -630.234712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.234712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.234712 (E_RNA)
where:
Base-Base interactions energy: -416.058
where: short stacking energy: -203.099
Base-Backbone interact. energy: -0.019
local terms energy: -214.157706
where:
bonds (distance) C4'-P energy: -38.923
bonds (distance) P-C4' energy: -42.424
flat angles C4'-P-C4' energy: -38.383
flat angles P-C4'-P energy: -29.744
tors. eta vs tors. theta energy: -64.683
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: 5, replica: 9
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -574.709428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.709428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.709428 (E_RNA)
where:
Base-Base interactions energy: -373.933
where: short stacking energy: -189.215
Base-Backbone interact. energy: -0.677
local terms energy: -200.099539
where:
bonds (distance) C4'-P energy: -34.749
bonds (distance) P-C4' energy: -33.043
flat angles C4'-P-C4' energy: -43.506
flat angles P-C4'-P energy: -28.936
tors. eta vs tors. theta energy: -59.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -529.689908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.689908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.689908 (E_RNA)
where:
Base-Base interactions energy: -337.255
where: short stacking energy: -161.463
Base-Backbone interact. energy: 0.517
local terms energy: -192.951738
where:
bonds (distance) C4'-P energy: -32.210
bonds (distance) P-C4' energy: -40.415
flat angles C4'-P-C4' energy: -40.421
flat angles P-C4'-P energy: -28.096
tors. eta vs tors. theta energy: -51.810
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: 5
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -202.920950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.920950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.920950 (E_RNA)
where:
Base-Base interactions energy: -85.523
where: short stacking energy: -55.999
Base-Backbone interact. energy: -1.126
local terms energy: -116.272588
where:
bonds (distance) C4'-P energy: -31.406
bonds (distance) P-C4' energy: -27.221
flat angles C4'-P-C4' energy: -35.181
flat angles P-C4'-P energy: -26.362
tors. eta vs tors. theta energy: 3.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -179.421818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.421818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.421818 (E_RNA)
where:
Base-Base interactions energy: -61.350
where: short stacking energy: -53.725
Base-Backbone interact. energy: 0.700
local terms energy: -118.771871
where:
bonds (distance) C4'-P energy: -31.915
bonds (distance) P-C4' energy: -27.919
flat angles C4'-P-C4' energy: -31.831
flat angles P-C4'-P energy: -23.311
tors. eta vs tors. theta energy: -3.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -194.120595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.120595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.120595 (E_RNA)
where:
Base-Base interactions energy: -75.444
where: short stacking energy: -66.122
Base-Backbone interact. energy: -0.434
local terms energy: -118.243414
where:
bonds (distance) C4'-P energy: -31.385
bonds (distance) P-C4' energy: -33.826
flat angles C4'-P-C4' energy: -27.488
flat angles P-C4'-P energy: -21.855
tors. eta vs tors. theta energy: -3.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -178.801279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.801279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.801279 (E_RNA)
where:
Base-Base interactions energy: -64.362
where: short stacking energy: -57.143
Base-Backbone interact. energy: -0.244
local terms energy: -114.195161
where:
bonds (distance) C4'-P energy: -25.232
bonds (distance) P-C4' energy: -42.725
flat angles C4'-P-C4' energy: -28.393
flat angles P-C4'-P energy: -8.067
tors. eta vs tors. theta energy: -9.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -676.875276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.875276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.875276 (E_RNA)
where:
Base-Base interactions energy: -447.462
where: short stacking energy: -210.768
Base-Backbone interact. energy: -0.398
local terms energy: -229.015400
where:
bonds (distance) C4'-P energy: -41.571
bonds (distance) P-C4' energy: -41.898
flat angles C4'-P-C4' energy: -46.495
flat angles P-C4'-P energy: -32.044
tors. eta vs tors. theta energy: -67.007
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: 210
Temperature: 0.950000
Total energy: -642.402907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.402907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.402907 (E_RNA)
where:
Base-Base interactions energy: -425.757
where: short stacking energy: -197.521
Base-Backbone interact. energy: -0.327
local terms energy: -216.318276
where:
bonds (distance) C4'-P energy: -45.057
bonds (distance) P-C4' energy: -36.170
flat angles C4'-P-C4' energy: -44.911
flat angles P-C4'-P energy: -29.080
tors. eta vs tors. theta energy: -61.101
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: 210
Temperature: 1.000000
Total energy: -616.659078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.659078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.659078 (E_RNA)
where:
Base-Base interactions energy: -405.807
where: short stacking energy: -191.548
Base-Backbone interact. energy: 0.243
local terms energy: -211.094856
where:
bonds (distance) C4'-P energy: -32.899
bonds (distance) P-C4' energy: -42.707
flat angles C4'-P-C4' energy: -42.389
flat angles P-C4'-P energy: -32.565
tors. eta vs tors. theta energy: -60.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -579.603459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.603459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.603459 (E_RNA)
where:
Base-Base interactions energy: -385.014
where: short stacking energy: -179.632
Base-Backbone interact. energy: 0.871
local terms energy: -195.460709
where:
bonds (distance) C4'-P energy: -40.384
bonds (distance) P-C4' energy: -34.323
flat angles C4'-P-C4' energy: -40.911
flat angles P-C4'-P energy: -24.939
tors. eta vs tors. theta energy: -54.903
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: 5, replica: 7
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -573.316744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.316744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.316744 (E_RNA)
where:
Base-Base interactions energy: -371.335
where: short stacking energy: -171.028
Base-Backbone interact. energy: -1.107
local terms energy: -200.874118
where:
bonds (distance) C4'-P energy: -41.615
bonds (distance) P-C4' energy: -38.847
flat angles C4'-P-C4' energy: -40.351
flat angles P-C4'-P energy: -29.147
tors. eta vs tors. theta energy: -50.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -550.280891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.280891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.280891 (E_RNA)
where:
Base-Base interactions energy: -361.589
where: short stacking energy: -175.232
Base-Backbone interact. energy: 0.538
local terms energy: -189.229078
where:
bonds (distance) C4'-P energy: -21.030
bonds (distance) P-C4' energy: -41.154
flat angles C4'-P-C4' energy: -42.366
flat angles P-C4'-P energy: -29.815
tors. eta vs tors. theta energy: -54.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -232.507357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.507357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.507357 (E_RNA)
where:
Base-Base interactions energy: -100.745
where: short stacking energy: -72.440
Base-Backbone interact. energy: -0.299
local terms energy: -131.462850
where:
bonds (distance) C4'-P energy: -30.809
bonds (distance) P-C4' energy: -39.091
flat angles C4'-P-C4' energy: -23.917
flat angles P-C4'-P energy: -24.447
tors. eta vs tors. theta energy: -13.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -193.114823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.114823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.114823 (E_RNA)
where:
Base-Base interactions energy: -71.793
where: short stacking energy: -61.061
Base-Backbone interact. energy: -0.145
local terms energy: -121.176988
where:
bonds (distance) C4'-P energy: -31.053
bonds (distance) P-C4' energy: -33.889
flat angles C4'-P-C4' energy: -28.233
flat angles P-C4'-P energy: -19.144
tors. eta vs tors. theta energy: -8.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -190.425044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.425044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.425044 (E_RNA)
where:
Base-Base interactions energy: -73.140
where: short stacking energy: -62.903
Base-Backbone interact. energy: -0.860
local terms energy: -116.424612
where:
bonds (distance) C4'-P energy: -27.241
bonds (distance) P-C4' energy: -33.679
flat angles C4'-P-C4' energy: -28.243
flat angles P-C4'-P energy: -26.271
tors. eta vs tors. theta energy: -0.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -162.966548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.966548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.966548 (E_RNA)
where:
Base-Base interactions energy: -57.259
where: short stacking energy: -39.551
Base-Backbone interact. energy: -0.211
local terms energy: -105.496303
where:
bonds (distance) C4'-P energy: -30.301
bonds (distance) P-C4' energy: -28.881
flat angles C4'-P-C4' energy: -29.256
flat angles P-C4'-P energy: -24.848
tors. eta vs tors. theta energy: 7.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -672.683472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.683472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.683472 (E_RNA)
where:
Base-Base interactions energy: -459.482
where: short stacking energy: -195.571
Base-Backbone interact. energy: -0.140
local terms energy: -213.061959
where:
bonds (distance) C4'-P energy: -43.214
bonds (distance) P-C4' energy: -38.240
flat angles C4'-P-C4' energy: -42.024
flat angles P-C4'-P energy: -30.871
tors. eta vs tors. theta energy: -58.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -638.827833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.827833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.827833 (E_RNA)
where:
Base-Base interactions energy: -438.761
where: short stacking energy: -190.275
Base-Backbone interact. energy: 0.268
local terms energy: -200.334383
where:
bonds (distance) C4'-P energy: -38.279
bonds (distance) P-C4' energy: -34.505
flat angles C4'-P-C4' energy: -44.671
flat angles P-C4'-P energy: -24.583
tors. eta vs tors. theta energy: -58.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -635.136089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.136089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.136089 (E_RNA)
where:
Base-Base interactions energy: -441.734
where: short stacking energy: -186.565
Base-Backbone interact. energy: -0.065
local terms energy: -193.336667
where:
bonds (distance) C4'-P energy: -40.137
bonds (distance) P-C4' energy: -21.737
flat angles C4'-P-C4' energy: -43.149
flat angles P-C4'-P energy: -28.510
tors. eta vs tors. theta energy: -59.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -607.901844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.901844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.901844 (E_RNA)
where:
Base-Base interactions energy: -400.985
where: short stacking energy: -192.345
Base-Backbone interact. energy: -0.787
local terms energy: -206.129448
where:
bonds (distance) C4'-P energy: -37.522
bonds (distance) P-C4' energy: -38.747
flat angles C4'-P-C4' energy: -38.043
flat angles P-C4'-P energy: -31.349
tors. eta vs tors. theta energy: -60.469
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: 5, replica: 8
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -549.952014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.952014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.952014 (E_RNA)
where:
Base-Base interactions energy: -354.822
where: short stacking energy: -167.519
Base-Backbone interact. energy: -1.868
local terms energy: -193.261556
where:
bonds (distance) C4'-P energy: -38.141
bonds (distance) P-C4' energy: -43.380
flat angles C4'-P-C4' energy: -33.360
flat angles P-C4'-P energy: -31.046
tors. eta vs tors. theta energy: -47.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -524.287543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.287543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.287543 (E_RNA)
where:
Base-Base interactions energy: -328.900
where: short stacking energy: -149.688
Base-Backbone interact. energy: 0.055
local terms energy: -195.442383
where:
bonds (distance) C4'-P energy: -41.728
bonds (distance) P-C4' energy: -41.186
flat angles C4'-P-C4' energy: -36.012
flat angles P-C4'-P energy: -23.431
tors. eta vs tors. theta energy: -53.086
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: 7, replica: 5
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -204.856059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.856059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.856059 (E_RNA)
where:
Base-Base interactions energy: -79.857
where: short stacking energy: -63.836
Base-Backbone interact. energy: -0.445
local terms energy: -124.553323
where:
bonds (distance) C4'-P energy: -34.127
bonds (distance) P-C4' energy: -34.398
flat angles C4'-P-C4' energy: -35.451
flat angles P-C4'-P energy: -14.486
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: 8, replica: 1
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -188.572227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.572227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.572227 (E_RNA)
where:
Base-Base interactions energy: -67.402
where: short stacking energy: -52.917
Base-Backbone interact. energy: -1.147
local terms energy: -120.023158
where:
bonds (distance) C4'-P energy: -40.675
bonds (distance) P-C4' energy: -37.330
flat angles C4'-P-C4' energy: -23.282
flat angles P-C4'-P energy: -15.981
tors. eta vs tors. theta energy: -2.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -172.492149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.492149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.492149 (E_RNA)
where:
Base-Base interactions energy: -52.609
where: short stacking energy: -53.709
Base-Backbone interact. energy: 0.373
local terms energy: -120.256445
where:
bonds (distance) C4'-P energy: -27.459
bonds (distance) P-C4' energy: -37.624
flat angles C4'-P-C4' energy: -30.620
flat angles P-C4'-P energy: -22.274
tors. eta vs tors. theta energy: -2.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -175.219689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.219689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.219689 (E_RNA)
where:
Base-Base interactions energy: -67.481
where: short stacking energy: -56.393
Base-Backbone interact. energy: 0.390
local terms energy: -108.128904
where:
bonds (distance) C4'-P energy: -26.929
bonds (distance) P-C4' energy: -34.587
flat angles C4'-P-C4' energy: -34.890
flat angles P-C4'-P energy: -14.609
tors. eta vs tors. theta energy: 2.887
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: 4
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -661.874724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.874724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.874724 (E_RNA)
where:
Base-Base interactions energy: -447.982
where: short stacking energy: -199.797
Base-Backbone interact. energy: -0.547
local terms energy: -213.345339
where:
bonds (distance) C4'-P energy: -41.917
bonds (distance) P-C4' energy: -39.683
flat angles C4'-P-C4' energy: -47.471
flat angles P-C4'-P energy: -27.446
tors. eta vs tors. theta energy: -56.828
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: 2, replica: 2
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -652.456769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.456769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.456769 (E_RNA)
where:
Base-Base interactions energy: -448.403
where: short stacking energy: -194.418
Base-Backbone interact. energy: -0.131
local terms energy: -203.923455
where:
bonds (distance) C4'-P energy: -34.638
bonds (distance) P-C4' energy: -38.932
flat angles C4'-P-C4' energy: -42.873
flat angles P-C4'-P energy: -27.246
tors. eta vs tors. theta energy: -60.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -640.949021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.949021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.949021 (E_RNA)
where:
Base-Base interactions energy: -436.440
where: short stacking energy: -202.799
Base-Backbone interact. energy: -0.221
local terms energy: -204.287928
where:
bonds (distance) C4'-P energy: -34.499
bonds (distance) P-C4' energy: -39.140
flat angles C4'-P-C4' energy: -37.101
flat angles P-C4'-P energy: -29.898
tors. eta vs tors. theta energy: -63.650
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: 7
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -604.374821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.374821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.374821 (E_RNA)
where:
Base-Base interactions energy: -393.224
where: short stacking energy: -186.478
Base-Backbone interact. energy: -0.657
local terms energy: -210.494012
where:
bonds (distance) C4'-P energy: -32.354
bonds (distance) P-C4' energy: -40.710
flat angles C4'-P-C4' energy: -45.176
flat angles P-C4'-P energy: -28.412
tors. eta vs tors. theta energy: -63.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -556.022336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.022336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.022336 (E_RNA)
where:
Base-Base interactions energy: -369.888
where: short stacking energy: -175.950
Base-Backbone interact. energy: -0.217
local terms energy: -185.916879
where:
bonds (distance) C4'-P energy: -31.620
bonds (distance) P-C4' energy: -42.717
flat angles C4'-P-C4' energy: -33.561
flat angles P-C4'-P energy: -30.297
tors. eta vs tors. theta energy: -47.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -536.805538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.805538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.805538 (E_RNA)
where:
Base-Base interactions energy: -351.962
where: short stacking energy: -177.020
Base-Backbone interact. energy: -0.236
local terms energy: -184.607231
where:
bonds (distance) C4'-P energy: -30.761
bonds (distance) P-C4' energy: -35.262
flat angles C4'-P-C4' energy: -39.336
flat angles P-C4'-P energy: -26.300
tors. eta vs tors. theta energy: -52.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -212.587851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.587851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.587851 (E_RNA)
where:
Base-Base interactions energy: -103.483
where: short stacking energy: -57.124
Base-Backbone interact. energy: -0.462
local terms energy: -108.642572
where:
bonds (distance) C4'-P energy: -33.327
bonds (distance) P-C4' energy: -39.714
flat angles C4'-P-C4' energy: -18.071
flat angles P-C4'-P energy: -17.687
tors. eta vs tors. theta energy: 0.158
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: 5
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -227.626179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.626179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.626179 (E_RNA)
where:
Base-Base interactions energy: -92.326
where: short stacking energy: -48.693
Base-Backbone interact. energy: -1.918
local terms energy: -133.381735
where:
bonds (distance) C4'-P energy: -32.048
bonds (distance) P-C4' energy: -35.326
flat angles C4'-P-C4' energy: -33.949
flat angles P-C4'-P energy: -26.820
tors. eta vs tors. theta energy: -5.239
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: 9, replica: 10
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -191.599241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.599241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.599241 (E_RNA)
where:
Base-Base interactions energy: -64.349
where: short stacking energy: -51.206
Base-Backbone interact. energy: -0.478
local terms energy: -126.772136
where:
bonds (distance) C4'-P energy: -26.730
bonds (distance) P-C4' energy: -35.219
flat angles C4'-P-C4' energy: -32.893
flat angles P-C4'-P energy: -20.303
tors. eta vs tors. theta energy: -11.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -175.601773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.601773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.601773 (E_RNA)
where:
Base-Base interactions energy: -57.209
where: short stacking energy: -35.513
Base-Backbone interact. energy: -0.171
local terms energy: -118.221485
where:
bonds (distance) C4'-P energy: -33.228
bonds (distance) P-C4' energy: -29.375
flat angles C4'-P-C4' energy: -35.893
flat angles P-C4'-P energy: -19.515
tors. eta vs tors. theta energy: -0.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -673.356532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.356532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.356532 (E_RNA)
where:
Base-Base interactions energy: -452.461
where: short stacking energy: -200.829
Base-Backbone interact. energy: -0.868
local terms energy: -220.027935
where:
bonds (distance) C4'-P energy: -39.195
bonds (distance) P-C4' energy: -39.376
flat angles C4'-P-C4' energy: -47.116
flat angles P-C4'-P energy: -33.816
tors. eta vs tors. theta energy: -60.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -668.942670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.942670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.942670 (E_RNA)
where:
Base-Base interactions energy: -438.448
where: short stacking energy: -206.914
Base-Backbone interact. energy: -0.007
local terms energy: -230.487358
where:
bonds (distance) C4'-P energy: -43.695
bonds (distance) P-C4' energy: -44.461
flat angles C4'-P-C4' energy: -42.456
flat angles P-C4'-P energy: -31.740
tors. eta vs tors. theta energy: -68.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -631.280852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.280852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.280852 (E_RNA)
where:
Base-Base interactions energy: -437.141
where: short stacking energy: -181.763
Base-Backbone interact. energy: 2.516
local terms energy: -196.656500
where:
bonds (distance) C4'-P energy: -31.921
bonds (distance) P-C4' energy: -37.422
flat angles C4'-P-C4' energy: -39.218
flat angles P-C4'-P energy: -30.502
tors. eta vs tors. theta energy: -57.593
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: 8
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -587.393338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.393338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.393338 (E_RNA)
where:
Base-Base interactions energy: -390.119
where: short stacking energy: -185.317
Base-Backbone interact. energy: 2.312
local terms energy: -199.586449
where:
bonds (distance) C4'-P energy: -36.411
bonds (distance) P-C4' energy: -42.568
flat angles C4'-P-C4' energy: -38.662
flat angles P-C4'-P energy: -28.675
tors. eta vs tors. theta energy: -53.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -602.864229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.864229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.864229 (E_RNA)
where:
Base-Base interactions energy: -397.610
where: short stacking energy: -185.923
Base-Backbone interact. energy: 0.188
local terms energy: -205.441964
where:
bonds (distance) C4'-P energy: -37.310
bonds (distance) P-C4' energy: -37.643
flat angles C4'-P-C4' energy: -41.439
flat angles P-C4'-P energy: -26.495
tors. eta vs tors. theta energy: -62.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -558.192997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.192997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.192997 (E_RNA)
where:
Base-Base interactions energy: -358.882
where: short stacking energy: -181.964
Base-Backbone interact. energy: -0.534
local terms energy: -198.776883
where:
bonds (distance) C4'-P energy: -38.984
bonds (distance) P-C4' energy: -39.584
flat angles C4'-P-C4' energy: -45.702
flat angles P-C4'-P energy: -19.701
tors. eta vs tors. theta energy: -54.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -240.782879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.782879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.782879 (E_RNA)
where:
Base-Base interactions energy: -110.134
where: short stacking energy: -56.367
Base-Backbone interact. energy: -0.851
local terms energy: -129.798243
where:
bonds (distance) C4'-P energy: -32.941
bonds (distance) P-C4' energy: -32.186
flat angles C4'-P-C4' energy: -32.650
flat angles P-C4'-P energy: -22.340
tors. eta vs tors. theta energy: -9.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -216.451570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.451570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.451570 (E_RNA)
where:
Base-Base interactions energy: -82.074
where: short stacking energy: -69.332
Base-Backbone interact. energy: 0.316
local terms energy: -134.693838
where:
bonds (distance) C4'-P energy: -30.579
bonds (distance) P-C4' energy: -40.237
flat angles C4'-P-C4' energy: -36.720
flat angles P-C4'-P energy: -16.016
tors. eta vs tors. theta energy: -11.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -187.833121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.833121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.833121 (E_RNA)
where:
Base-Base interactions energy: -61.344
where: short stacking energy: -51.026
Base-Backbone interact. energy: -1.112
local terms energy: -125.377074
where:
bonds (distance) C4'-P energy: -29.041
bonds (distance) P-C4' energy: -35.598
flat angles C4'-P-C4' energy: -30.694
flat angles P-C4'-P energy: -25.392
tors. eta vs tors. theta energy: -4.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -181.545030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.545030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.545030 (E_RNA)
where:
Base-Base interactions energy: -66.233
where: short stacking energy: -39.868
Base-Backbone interact. energy: 0.244
local terms energy: -115.556590
where:
bonds (distance) C4'-P energy: -27.811
bonds (distance) P-C4' energy: -37.545
flat angles C4'-P-C4' energy: -30.677
flat angles P-C4'-P energy: -24.446
tors. eta vs tors. theta energy: 4.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -678.556661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.556661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.556661 (E_RNA)
where:
Base-Base interactions energy: -445.967
where: short stacking energy: -212.144
Base-Backbone interact. energy: -0.774
local terms energy: -231.815876
where:
bonds (distance) C4'-P energy: -44.182
bonds (distance) P-C4' energy: -41.353
flat angles C4'-P-C4' energy: -48.781
flat angles P-C4'-P energy: -27.588
tors. eta vs tors. theta energy: -69.912
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: 4
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -661.233734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.233734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.233734 (E_RNA)
where:
Base-Base interactions energy: -445.020
where: short stacking energy: -200.912
Base-Backbone interact. energy: -0.842
local terms energy: -215.371698
where:
bonds (distance) C4'-P energy: -41.209
bonds (distance) P-C4' energy: -30.998
flat angles C4'-P-C4' energy: -45.574
flat angles P-C4'-P energy: -31.661
tors. eta vs tors. theta energy: -65.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -602.460134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.460134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.460134 (E_RNA)
where:
Base-Base interactions energy: -393.937
where: short stacking energy: -191.432
Base-Backbone interact. energy: -0.758
local terms energy: -207.764568
where:
bonds (distance) C4'-P energy: -36.197
bonds (distance) P-C4' energy: -41.644
flat angles C4'-P-C4' energy: -36.965
flat angles P-C4'-P energy: -30.566
tors. eta vs tors. theta energy: -62.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -622.762504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.762504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.762504 (E_RNA)
where:
Base-Base interactions energy: -420.073
where: short stacking energy: -184.244
Base-Backbone interact. energy: -0.429
local terms energy: -202.260596
where:
bonds (distance) C4'-P energy: -41.023
bonds (distance) P-C4' energy: -33.871
flat angles C4'-P-C4' energy: -42.701
flat angles P-C4'-P energy: -26.474
tors. eta vs tors. theta energy: -58.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -571.032839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.032839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.032839 (E_RNA)
where:
Base-Base interactions energy: -382.735
where: short stacking energy: -180.709
Base-Backbone interact. energy: -0.348
local terms energy: -187.949665
where:
bonds (distance) C4'-P energy: -35.678
bonds (distance) P-C4' energy: -37.729
flat angles C4'-P-C4' energy: -40.914
flat angles P-C4'-P energy: -22.477
tors. eta vs tors. theta energy: -51.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -573.856788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.856788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.856788 (E_RNA)
where:
Base-Base interactions energy: -385.079
where: short stacking energy: -164.396
Base-Backbone interact. energy: -0.439
local terms energy: -188.339206
where:
bonds (distance) C4'-P energy: -35.288
bonds (distance) P-C4' energy: -36.861
flat angles C4'-P-C4' energy: -38.593
flat angles P-C4'-P energy: -28.310
tors. eta vs tors. theta energy: -49.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -235.959854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.959854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.959854 (E_RNA)
where:
Base-Base interactions energy: -103.781
where: short stacking energy: -54.072
Base-Backbone interact. energy: -0.178
local terms energy: -132.001568
where:
bonds (distance) C4'-P energy: -29.273
bonds (distance) P-C4' energy: -38.786
flat angles C4'-P-C4' energy: -41.883
flat angles P-C4'-P energy: -18.926
tors. eta vs tors. theta energy: -3.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -191.391377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.391377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.391377 (E_RNA)
where:
Base-Base interactions energy: -77.821
where: short stacking energy: -63.702
Base-Backbone interact. energy: -0.457
local terms energy: -113.113034
where:
bonds (distance) C4'-P energy: -32.478
bonds (distance) P-C4' energy: -31.801
flat angles C4'-P-C4' energy: -19.691
flat angles P-C4'-P energy: -26.110
tors. eta vs tors. theta energy: -3.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -184.237056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.237056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.237056 (E_RNA)
where:
Base-Base interactions energy: -62.420
where: short stacking energy: -57.537
Base-Backbone interact. energy: -0.745
local terms energy: -121.071609
where:
bonds (distance) C4'-P energy: -32.450
bonds (distance) P-C4' energy: -40.151
flat angles C4'-P-C4' energy: -27.739
flat angles P-C4'-P energy: -16.550
tors. eta vs tors. theta energy: -4.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -178.980763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.980763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.980763 (E_RNA)
where:
Base-Base interactions energy: -57.570
where: short stacking energy: -28.587
Base-Backbone interact. energy: 2.067
local terms energy: -123.477286
where:
bonds (distance) C4'-P energy: -35.686
bonds (distance) P-C4' energy: -35.248
flat angles C4'-P-C4' energy: -36.431
flat angles P-C4'-P energy: -21.467
tors. eta vs tors. theta energy: 5.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -666.535490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.535490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.535490 (E_RNA)
where:
Base-Base interactions energy: -439.583
where: short stacking energy: -208.233
Base-Backbone interact. energy: 0.123
local terms energy: -227.075002
where:
bonds (distance) C4'-P energy: -40.942
bonds (distance) P-C4' energy: -41.152
flat angles C4'-P-C4' energy: -43.525
flat angles P-C4'-P energy: -37.915
tors. eta vs tors. theta energy: -63.541
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: 4
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -660.154300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.154300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.154300 (E_RNA)
where:
Base-Base interactions energy: -442.592
where: short stacking energy: -200.366
Base-Backbone interact. energy: -0.694
local terms energy: -216.868438
where:
bonds (distance) C4'-P energy: -35.081
bonds (distance) P-C4' energy: -40.325
flat angles C4'-P-C4' energy: -46.857
flat angles P-C4'-P energy: -30.656
tors. eta vs tors. theta energy: -63.949
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: 8
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -602.725740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.725740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.725740 (E_RNA)
where:
Base-Base interactions energy: -396.715
where: short stacking energy: -187.875
Base-Backbone interact. energy: -1.723
local terms energy: -204.287986
where:
bonds (distance) C4'-P energy: -39.849
bonds (distance) P-C4' energy: -40.124
flat angles C4'-P-C4' energy: -48.941
flat angles P-C4'-P energy: -22.766
tors. eta vs tors. theta energy: -52.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -623.164038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.164038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.164038 (E_RNA)
where:
Base-Base interactions energy: -432.829
where: short stacking energy: -178.741
Base-Backbone interact. energy: -0.458
local terms energy: -189.876374
where:
bonds (distance) C4'-P energy: -36.357
bonds (distance) P-C4' energy: -33.680
flat angles C4'-P-C4' energy: -42.622
flat angles P-C4'-P energy: -27.583
tors. eta vs tors. theta energy: -49.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -556.567150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.567150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.567150 (E_RNA)
where:
Base-Base interactions energy: -354.865
where: short stacking energy: -177.477
Base-Backbone interact. energy: -0.146
local terms energy: -201.556488
where:
bonds (distance) C4'-P energy: -36.449
bonds (distance) P-C4' energy: -39.323
flat angles C4'-P-C4' energy: -45.787
flat angles P-C4'-P energy: -26.004
tors. eta vs tors. theta energy: -53.993
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: 7
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -544.859808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.859808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.859808 (E_RNA)
where:
Base-Base interactions energy: -354.419
where: short stacking energy: -173.763
Base-Backbone interact. energy: -0.161
local terms energy: -190.279993
where:
bonds (distance) C4'-P energy: -28.026
bonds (distance) P-C4' energy: -43.057
flat angles C4'-P-C4' energy: -42.259
flat angles P-C4'-P energy: -28.420
tors. eta vs tors. theta energy: -48.518
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: 7, replica: 5
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -229.646724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.646724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.646724 (E_RNA)
where:
Base-Base interactions energy: -95.518
where: short stacking energy: -61.564
Base-Backbone interact. energy: -1.284
local terms energy: -132.844397
where:
bonds (distance) C4'-P energy: -32.871
bonds (distance) P-C4' energy: -36.102
flat angles C4'-P-C4' energy: -35.264
flat angles P-C4'-P energy: -23.407
tors. eta vs tors. theta energy: -5.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -219.696633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.696633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.696633 (E_RNA)
where:
Base-Base interactions energy: -80.398
where: short stacking energy: -59.562
Base-Backbone interact. energy: -0.936
local terms energy: -138.362269
where:
bonds (distance) C4'-P energy: -37.528
bonds (distance) P-C4' energy: -34.666
flat angles C4'-P-C4' energy: -38.141
flat angles P-C4'-P energy: -19.977
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: 1
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -206.916355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.916355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.916355 (E_RNA)
where:
Base-Base interactions energy: -78.858
where: short stacking energy: -51.451
Base-Backbone interact. energy: -0.650
local terms energy: -127.409020
where:
bonds (distance) C4'-P energy: -30.252
bonds (distance) P-C4' energy: -33.688
flat angles C4'-P-C4' energy: -35.490
flat angles P-C4'-P energy: -19.196
tors. eta vs tors. theta energy: -8.783
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: 10
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -164.837174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.837174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.837174 (E_RNA)
where:
Base-Base interactions energy: -55.776
where: short stacking energy: -40.886
Base-Backbone interact. energy: 1.114
local terms energy: -110.174990
where:
bonds (distance) C4'-P energy: -29.888
bonds (distance) P-C4' energy: -33.262
flat angles C4'-P-C4' energy: -34.729
flat angles P-C4'-P energy: -10.363
tors. eta vs tors. theta energy: -1.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -674.186302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.186302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.186302 (E_RNA)
where:
Base-Base interactions energy: -441.560
where: short stacking energy: -214.721
Base-Backbone interact. energy: -0.318
local terms energy: -232.308929
where:
bonds (distance) C4'-P energy: -41.968
bonds (distance) P-C4' energy: -43.019
flat angles C4'-P-C4' energy: -46.304
flat angles P-C4'-P energy: -31.830
tors. eta vs tors. theta energy: -69.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -665.368402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.368402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.368402 (E_RNA)
where:
Base-Base interactions energy: -433.492
where: short stacking energy: -206.547
Base-Backbone interact. energy: -0.360
local terms energy: -231.516082
where:
bonds (distance) C4'-P energy: -41.585
bonds (distance) P-C4' energy: -39.720
flat angles C4'-P-C4' energy: -45.507
flat angles P-C4'-P energy: -36.012
tors. eta vs tors. theta energy: -68.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -585.597756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.597756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.597756 (E_RNA)
where:
Base-Base interactions energy: -395.110
where: short stacking energy: -169.194
Base-Backbone interact. energy: -0.818
local terms energy: -189.670325
where:
bonds (distance) C4'-P energy: -38.021
bonds (distance) P-C4' energy: -36.779
flat angles C4'-P-C4' energy: -36.634
flat angles P-C4'-P energy: -31.880
tors. eta vs tors. theta energy: -46.357
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: 2
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -598.947488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.947488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.947488 (E_RNA)
where:
Base-Base interactions energy: -417.953
where: short stacking energy: -169.238
Base-Backbone interact. energy: -0.781
local terms energy: -180.213731
where:
bonds (distance) C4'-P energy: -33.379
bonds (distance) P-C4' energy: -36.469
flat angles C4'-P-C4' energy: -34.763
flat angles P-C4'-P energy: -21.165
tors. eta vs tors. theta energy: -54.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -585.548721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.548721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.548721 (E_RNA)
where:
Base-Base interactions energy: -390.531
where: short stacking energy: -186.959
Base-Backbone interact. energy: -0.287
local terms energy: -194.730218
where:
bonds (distance) C4'-P energy: -28.151
bonds (distance) P-C4' energy: -32.813
flat angles C4'-P-C4' energy: -44.727
flat angles P-C4'-P energy: -25.848
tors. eta vs tors. theta energy: -63.192
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: 6, replica: 7
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -528.775806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.775806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.775806 (E_RNA)
where:
Base-Base interactions energy: -344.806
where: short stacking energy: -153.999
Base-Backbone interact. energy: 0.813
local terms energy: -184.782855
where:
bonds (distance) C4'-P energy: -30.725
bonds (distance) P-C4' energy: -45.901
flat angles C4'-P-C4' energy: -39.876
flat angles P-C4'-P energy: -25.530
tors. eta vs tors. theta energy: -42.751
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: 5
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -210.482706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.482706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.482706 (E_RNA)
where:
Base-Base interactions energy: -75.994
where: short stacking energy: -48.394
Base-Backbone interact. energy: 1.215
local terms energy: -135.703614
where:
bonds (distance) C4'-P energy: -34.776
bonds (distance) P-C4' energy: -40.000
flat angles C4'-P-C4' energy: -35.168
flat angles P-C4'-P energy: -22.257
tors. eta vs tors. theta energy: -3.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -199.674969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.674969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.674969 (E_RNA)
where:
Base-Base interactions energy: -77.939
where: short stacking energy: -66.505
Base-Backbone interact. energy: -0.089
local terms energy: -121.647575
where:
bonds (distance) C4'-P energy: -35.425
bonds (distance) P-C4' energy: -34.472
flat angles C4'-P-C4' energy: -30.680
flat angles P-C4'-P energy: -15.027
tors. eta vs tors. theta energy: -6.044
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: 9, replica: 10
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -175.280493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.280493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.280493 (E_RNA)
where:
Base-Base interactions energy: -78.538
where: short stacking energy: -50.537
Base-Backbone interact. energy: -1.770
local terms energy: -94.972728
where:
bonds (distance) C4'-P energy: -33.081
bonds (distance) P-C4' energy: -31.692
flat angles C4'-P-C4' energy: -18.718
flat angles P-C4'-P energy: -19.919
tors. eta vs tors. theta energy: 8.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -187.479435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.479435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.479435 (E_RNA)
where:
Base-Base interactions energy: -71.583
where: short stacking energy: -48.889
Base-Backbone interact. energy: -0.305
local terms energy: -115.591373
where:
bonds (distance) C4'-P energy: -34.195
bonds (distance) P-C4' energy: -31.793
flat angles C4'-P-C4' energy: -33.504
flat angles P-C4'-P energy: -17.785
tors. eta vs tors. theta energy: 1.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -674.728064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.728064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.728064 (E_RNA)
where:
Base-Base interactions energy: -455.788
where: short stacking energy: -203.210
Base-Backbone interact. energy: -0.361
local terms energy: -218.578998
where:
bonds (distance) C4'-P energy: -33.345
bonds (distance) P-C4' energy: -41.879
flat angles C4'-P-C4' energy: -46.690
flat angles P-C4'-P energy: -36.104
tors. eta vs tors. theta energy: -60.561
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: 6
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -676.870992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.870992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.870992 (E_RNA)
where:
Base-Base interactions energy: -454.702
where: short stacking energy: -209.119
Base-Backbone interact. energy: -0.873
local terms energy: -221.296279
where:
bonds (distance) C4'-P energy: -41.818
bonds (distance) P-C4' energy: -39.645
flat angles C4'-P-C4' energy: -44.956
flat angles P-C4'-P energy: -30.860
tors. eta vs tors. theta energy: -64.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -595.936163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.936163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.936163 (E_RNA)
where:
Base-Base interactions energy: -392.060
where: short stacking energy: -176.078
Base-Backbone interact. energy: -0.122
local terms energy: -203.754833
where:
bonds (distance) C4'-P energy: -42.439
bonds (distance) P-C4' energy: -40.702
flat angles C4'-P-C4' energy: -40.257
flat angles P-C4'-P energy: -26.925
tors. eta vs tors. theta energy: -53.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -590.515308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.515308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.515308 (E_RNA)
where:
Base-Base interactions energy: -387.542
where: short stacking energy: -183.645
Base-Backbone interact. energy: -0.424
local terms energy: -202.549687
where:
bonds (distance) C4'-P energy: -38.477
bonds (distance) P-C4' energy: -33.797
flat angles C4'-P-C4' energy: -45.475
flat angles P-C4'-P energy: -26.231
tors. eta vs tors. theta energy: -58.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -586.126251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.126251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.126251 (E_RNA)
where:
Base-Base interactions energy: -392.333
where: short stacking energy: -178.151
Base-Backbone interact. energy: -0.460
local terms energy: -193.333499
where:
bonds (distance) C4'-P energy: -34.544
bonds (distance) P-C4' energy: -39.749
flat angles C4'-P-C4' energy: -36.274
flat angles P-C4'-P energy: -22.552
tors. eta vs tors. theta energy: -60.214
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: 7
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -530.642035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.642035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.642035 (E_RNA)
where:
Base-Base interactions energy: -344.610
where: short stacking energy: -160.704
Base-Backbone interact. energy: -0.157
local terms energy: -185.875797
where:
bonds (distance) C4'-P energy: -38.586
bonds (distance) P-C4' energy: -39.177
flat angles C4'-P-C4' energy: -42.274
flat angles P-C4'-P energy: -20.129
tors. eta vs tors. theta energy: -45.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -203.991991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.991991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.991991 (E_RNA)
where:
Base-Base interactions energy: -80.241
where: short stacking energy: -54.599
Base-Backbone interact. energy: -0.552
local terms energy: -123.199009
where:
bonds (distance) C4'-P energy: -34.692
bonds (distance) P-C4' energy: -38.573
flat angles C4'-P-C4' energy: -20.724
flat angles P-C4'-P energy: -22.856
tors. eta vs tors. theta energy: -6.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -200.572701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.572701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.572701 (E_RNA)
where:
Base-Base interactions energy: -70.794
where: short stacking energy: -58.344
Base-Backbone interact. energy: 0.615
local terms energy: -130.394403
where:
bonds (distance) C4'-P energy: -32.891
bonds (distance) P-C4' energy: -46.430
flat angles C4'-P-C4' energy: -20.030
flat angles P-C4'-P energy: -27.174
tors. eta vs tors. theta energy: -3.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -174.318695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.318695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.318695 (E_RNA)
where:
Base-Base interactions energy: -74.444
where: short stacking energy: -48.950
Base-Backbone interact. energy: 0.953
local terms energy: -100.827676
where:
bonds (distance) C4'-P energy: -39.879
bonds (distance) P-C4' energy: -33.389
flat angles C4'-P-C4' energy: -22.096
flat angles P-C4'-P energy: -10.295
tors. eta vs tors. theta energy: 4.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -178.708001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.708001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.708001 (E_RNA)
where:
Base-Base interactions energy: -68.358
where: short stacking energy: -57.424
Base-Backbone interact. energy: 0.196
local terms energy: -110.545564
where:
bonds (distance) C4'-P energy: -15.458
bonds (distance) P-C4' energy: -41.214
flat angles C4'-P-C4' energy: -31.631
flat angles P-C4'-P energy: -20.871
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: 1, replica: 4
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -674.686784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.686784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.686784 (E_RNA)
where:
Base-Base interactions energy: -456.226
where: short stacking energy: -203.675
Base-Backbone interact. energy: -0.693
local terms energy: -217.767348
where:
bonds (distance) C4'-P energy: -37.561
bonds (distance) P-C4' energy: -40.360
flat angles C4'-P-C4' energy: -41.822
flat angles P-C4'-P energy: -32.790
tors. eta vs tors. theta energy: -65.233
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: 6
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -655.038946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.038946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.038946 (E_RNA)
where:
Base-Base interactions energy: -436.007
where: short stacking energy: -195.084
Base-Backbone interact. energy: -0.578
local terms energy: -218.454519
where:
bonds (distance) C4'-P energy: -35.862
bonds (distance) P-C4' energy: -40.354
flat angles C4'-P-C4' energy: -40.797
flat angles P-C4'-P energy: -36.322
tors. eta vs tors. theta energy: -65.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -582.217164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.217164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.217164 (E_RNA)
where:
Base-Base interactions energy: -382.855
where: short stacking energy: -173.547
Base-Backbone interact. energy: 0.411
local terms energy: -199.773878
where:
bonds (distance) C4'-P energy: -33.728
bonds (distance) P-C4' energy: -34.129
flat angles C4'-P-C4' energy: -41.083
flat angles P-C4'-P energy: -35.876
tors. eta vs tors. theta energy: -54.959
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: 8
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -592.099122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.099122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.099122 (E_RNA)
where:
Base-Base interactions energy: -390.325
where: short stacking energy: -191.520
Base-Backbone interact. energy: -0.238
local terms energy: -201.536308
where:
bonds (distance) C4'-P energy: -38.279
bonds (distance) P-C4' energy: -33.430
flat angles C4'-P-C4' energy: -42.048
flat angles P-C4'-P energy: -28.901
tors. eta vs tors. theta energy: -58.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -569.116354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.116354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.116354 (E_RNA)
where:
Base-Base interactions energy: -386.879
where: short stacking energy: -165.705
Base-Backbone interact. energy: -0.504
local terms energy: -181.733623
where:
bonds (distance) C4'-P energy: -31.286
bonds (distance) P-C4' energy: -33.370
flat angles C4'-P-C4' energy: -39.842
flat angles P-C4'-P energy: -26.799
tors. eta vs tors. theta energy: -50.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -548.579288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.579288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.579288 (E_RNA)
where:
Base-Base interactions energy: -366.053
where: short stacking energy: -181.665
Base-Backbone interact. energy: -1.837
local terms energy: -180.688366
where:
bonds (distance) C4'-P energy: -28.063
bonds (distance) P-C4' energy: -39.882
flat angles C4'-P-C4' energy: -37.883
flat angles P-C4'-P energy: -23.819
tors. eta vs tors. theta energy: -51.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -232.657375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.657375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.657375 (E_RNA)
where:
Base-Base interactions energy: -92.893
where: short stacking energy: -73.853
Base-Backbone interact. energy: -1.714
local terms energy: -138.050483
where:
bonds (distance) C4'-P energy: -38.656
bonds (distance) P-C4' energy: -26.006
flat angles C4'-P-C4' energy: -34.636
flat angles P-C4'-P energy: -21.481
tors. eta vs tors. theta energy: -17.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -192.321239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.321239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.321239 (E_RNA)
where:
Base-Base interactions energy: -80.159
where: short stacking energy: -40.078
Base-Backbone interact. energy: 0.484
local terms energy: -112.645499
where:
bonds (distance) C4'-P energy: -29.417
bonds (distance) P-C4' energy: -36.576
flat angles C4'-P-C4' energy: -29.283
flat angles P-C4'-P energy: -23.704
tors. eta vs tors. theta energy: 6.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -180.526249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.526249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.526249 (E_RNA)
where:
Base-Base interactions energy: -59.982
where: short stacking energy: -40.029
Base-Backbone interact. energy: 0.865
local terms energy: -121.409570
where:
bonds (distance) C4'-P energy: -21.258
bonds (distance) P-C4' energy: -43.861
flat angles C4'-P-C4' energy: -34.789
flat angles P-C4'-P energy: -22.012
tors. eta vs tors. theta energy: 0.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -159.440050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.440050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.440050 (E_RNA)
where:
Base-Base interactions energy: -50.912
where: short stacking energy: -50.912
Base-Backbone interact. energy: 2.881
local terms energy: -111.409122
where:
bonds (distance) C4'-P energy: -36.789
bonds (distance) P-C4' energy: -31.269
flat angles C4'-P-C4' energy: -23.465
flat angles P-C4'-P energy: -20.307
tors. eta vs tors. theta energy: 0.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -674.585436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.585436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.585436 (E_RNA)
where:
Base-Base interactions energy: -451.043
where: short stacking energy: -210.641
Base-Backbone interact. energy: -0.392
local terms energy: -223.149970
where:
bonds (distance) C4'-P energy: -45.375
bonds (distance) P-C4' energy: -45.440
flat angles C4'-P-C4' energy: -43.470
flat angles P-C4'-P energy: -29.084
tors. eta vs tors. theta energy: -59.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -649.955636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.955636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.955636 (E_RNA)
where:
Base-Base interactions energy: -422.908
where: short stacking energy: -199.013
Base-Backbone interact. energy: -0.147
local terms energy: -226.900470
where:
bonds (distance) C4'-P energy: -45.286
bonds (distance) P-C4' energy: -39.853
flat angles C4'-P-C4' energy: -47.277
flat angles P-C4'-P energy: -27.893
tors. eta vs tors. theta energy: -66.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -589.541240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.541240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.541240 (E_RNA)
where:
Base-Base interactions energy: -395.650
where: short stacking energy: -179.286
Base-Backbone interact. energy: -0.855
local terms energy: -193.036565
where:
bonds (distance) C4'-P energy: -27.745
bonds (distance) P-C4' energy: -39.322
flat angles C4'-P-C4' energy: -48.354
flat angles P-C4'-P energy: -25.390
tors. eta vs tors. theta energy: -52.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -599.764172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.764172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.764172 (E_RNA)
where:
Base-Base interactions energy: -385.226
where: short stacking energy: -182.696
Base-Backbone interact. energy: -1.513
local terms energy: -213.024873
where:
bonds (distance) C4'-P energy: -41.657
bonds (distance) P-C4' energy: -40.210
flat angles C4'-P-C4' energy: -46.315
flat angles P-C4'-P energy: -30.542
tors. eta vs tors. theta energy: -54.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -604.848831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.848831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.848831 (E_RNA)
where:
Base-Base interactions energy: -404.130
where: short stacking energy: -171.479
Base-Backbone interact. energy: 0.770
local terms energy: -201.488703
where:
bonds (distance) C4'-P energy: -38.558
bonds (distance) P-C4' energy: -37.388
flat angles C4'-P-C4' energy: -42.659
flat angles P-C4'-P energy: -30.031
tors. eta vs tors. theta energy: -52.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -551.711318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.711318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.711318 (E_RNA)
where:
Base-Base interactions energy: -362.043
where: short stacking energy: -179.181
Base-Backbone interact. energy: -0.041
local terms energy: -189.626505
where:
bonds (distance) C4'-P energy: -33.091
bonds (distance) P-C4' energy: -32.245
flat angles C4'-P-C4' energy: -40.027
flat angles P-C4'-P energy: -26.451
tors. eta vs tors. theta energy: -57.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -199.555183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.555183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.555183 (E_RNA)
where:
Base-Base interactions energy: -72.128
where: short stacking energy: -67.826
Base-Backbone interact. energy: -1.013
local terms energy: -126.414159
where:
bonds (distance) C4'-P energy: -30.934
bonds (distance) P-C4' energy: -33.438
flat angles C4'-P-C4' energy: -35.068
flat angles P-C4'-P energy: -19.214
tors. eta vs tors. theta energy: -7.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -192.243389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.243389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.243389 (E_RNA)
where:
Base-Base interactions energy: -75.663
where: short stacking energy: -61.466
Base-Backbone interact. energy: 0.659
local terms energy: -117.238568
where:
bonds (distance) C4'-P energy: -31.756
bonds (distance) P-C4' energy: -40.638
flat angles C4'-P-C4' energy: -27.613
flat angles P-C4'-P energy: -21.127
tors. eta vs tors. theta energy: 3.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -184.403878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.403878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.403878 (E_RNA)
where:
Base-Base interactions energy: -77.967
where: short stacking energy: -59.963
Base-Backbone interact. energy: -0.447
local terms energy: -105.989102
where:
bonds (distance) C4'-P energy: -32.263
bonds (distance) P-C4' energy: -34.089
flat angles C4'-P-C4' energy: -31.466
flat angles P-C4'-P energy: -7.791
tors. eta vs tors. theta energy: -0.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -166.983106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.983106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.983106 (E_RNA)
where:
Base-Base interactions energy: -57.364
where: short stacking energy: -46.498
Base-Backbone interact. energy: -1.469
local terms energy: -108.150483
where:
bonds (distance) C4'-P energy: -34.680
bonds (distance) P-C4' energy: -36.122
flat angles C4'-P-C4' energy: -18.571
flat angles P-C4'-P energy: -22.035
tors. eta vs tors. theta energy: 3.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -665.800707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.800707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.800707 (E_RNA)
where:
Base-Base interactions energy: -435.948
where: short stacking energy: -203.335
Base-Backbone interact. energy: -0.039
local terms energy: -229.813955
where:
bonds (distance) C4'-P energy: -41.867
bonds (distance) P-C4' energy: -47.285
flat angles C4'-P-C4' energy: -44.391
flat angles P-C4'-P energy: -34.132
tors. eta vs tors. theta energy: -62.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -663.969851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.969851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.969851 (E_RNA)
where:
Base-Base interactions energy: -445.545
where: short stacking energy: -205.181
Base-Backbone interact. energy: -0.633
local terms energy: -217.792259
where:
bonds (distance) C4'-P energy: -26.045
bonds (distance) P-C4' energy: -41.254
flat angles C4'-P-C4' energy: -51.779
flat angles P-C4'-P energy: -33.015
tors. eta vs tors. theta energy: -65.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -587.169700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.169700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.169700 (E_RNA)
where:
Base-Base interactions energy: -389.931
where: short stacking energy: -177.403
Base-Backbone interact. energy: -0.230
local terms energy: -197.008187
where:
bonds (distance) C4'-P energy: -35.869
bonds (distance) P-C4' energy: -38.040
flat angles C4'-P-C4' energy: -39.167
flat angles P-C4'-P energy: -30.774
tors. eta vs tors. theta energy: -53.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -578.179598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.179598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.179598 (E_RNA)
where:
Base-Base interactions energy: -378.232
where: short stacking energy: -176.032
Base-Backbone interact. energy: -0.356
local terms energy: -199.591778
where:
bonds (distance) C4'-P energy: -28.851
bonds (distance) P-C4' energy: -39.789
flat angles C4'-P-C4' energy: -51.034
flat angles P-C4'-P energy: -30.641
tors. eta vs tors. theta energy: -49.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -562.496270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.496270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.496270 (E_RNA)
where:
Base-Base interactions energy: -356.132
where: short stacking energy: -173.335
Base-Backbone interact. energy: -0.046
local terms energy: -206.318603
where:
bonds (distance) C4'-P energy: -41.818
bonds (distance) P-C4' energy: -37.155
flat angles C4'-P-C4' energy: -40.701
flat angles P-C4'-P energy: -29.661
tors. eta vs tors. theta energy: -56.984
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: 2
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -575.316231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.316231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.316231 (E_RNA)
where:
Base-Base interactions energy: -395.505
where: short stacking energy: -171.683
Base-Backbone interact. energy: -1.643
local terms energy: -178.169031
where:
bonds (distance) C4'-P energy: -29.621
bonds (distance) P-C4' energy: -27.492
flat angles C4'-P-C4' energy: -32.477
flat angles P-C4'-P energy: -32.465
tors. eta vs tors. theta energy: -56.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -203.505586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.505586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.505586 (E_RNA)
where:
Base-Base interactions energy: -63.890
where: short stacking energy: -60.455
Base-Backbone interact. energy: 4.710
local terms energy: -144.325462
where:
bonds (distance) C4'-P energy: -33.375
bonds (distance) P-C4' energy: -36.915
flat angles C4'-P-C4' energy: -39.797
flat angles P-C4'-P energy: -18.783
tors. eta vs tors. theta energy: -15.454
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: 1
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -214.228709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.228709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.228709 (E_RNA)
where:
Base-Base interactions energy: -82.830
where: short stacking energy: -50.321
Base-Backbone interact. energy: -0.207
local terms energy: -131.191932
where:
bonds (distance) C4'-P energy: -34.286
bonds (distance) P-C4' energy: -43.928
flat angles C4'-P-C4' energy: -30.512
flat angles P-C4'-P energy: -21.502
tors. eta vs tors. theta energy: -0.963
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: 220
Temperature: 1.300000
Total energy: -174.375595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.375595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.375595 (E_RNA)
where:
Base-Base interactions energy: -57.148
where: short stacking energy: -49.230
Base-Backbone interact. energy: 0.228
local terms energy: -117.455462
where:
bonds (distance) C4'-P energy: -35.664
bonds (distance) P-C4' energy: -31.288
flat angles C4'-P-C4' energy: -28.925
flat angles P-C4'-P energy: -22.736
tors. eta vs tors. theta energy: 1.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -166.766267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.766267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.766267 (E_RNA)
where:
Base-Base interactions energy: -68.746
where: short stacking energy: -46.125
Base-Backbone interact. energy: -0.738
local terms energy: -97.282811
where:
bonds (distance) C4'-P energy: -35.884
bonds (distance) P-C4' energy: -29.711
flat angles C4'-P-C4' energy: -22.691
flat angles P-C4'-P energy: -14.318
tors. eta vs tors. theta energy: 5.321
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: 6
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -654.951088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.951088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.951088 (E_RNA)
where:
Base-Base interactions energy: -435.414
where: short stacking energy: -217.181
Base-Backbone interact. energy: -0.124
local terms energy: -219.413002
where:
bonds (distance) C4'-P energy: -37.184
bonds (distance) P-C4' energy: -41.208
flat angles C4'-P-C4' energy: -46.074
flat angles P-C4'-P energy: -30.041
tors. eta vs tors. theta energy: -64.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -664.490557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.490557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.490557 (E_RNA)
where:
Base-Base interactions energy: -451.241
where: short stacking energy: -205.984
Base-Backbone interact. energy: -0.809
local terms energy: -212.440219
where:
bonds (distance) C4'-P energy: -32.827
bonds (distance) P-C4' energy: -42.454
flat angles C4'-P-C4' energy: -41.140
flat angles P-C4'-P energy: -32.941
tors. eta vs tors. theta energy: -63.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -600.442699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.442699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.442699 (E_RNA)
where:
Base-Base interactions energy: -401.047
where: short stacking energy: -179.338
Base-Backbone interact. energy: 1.703
local terms energy: -201.098009
where:
bonds (distance) C4'-P energy: -38.219
bonds (distance) P-C4' energy: -34.527
flat angles C4'-P-C4' energy: -41.832
flat angles P-C4'-P energy: -32.126
tors. eta vs tors. theta energy: -54.394
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: 7
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -583.259087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.259087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.259087 (E_RNA)
where:
Base-Base interactions energy: -376.426
where: short stacking energy: -182.423
Base-Backbone interact. energy: -0.805
local terms energy: -206.028303
where:
bonds (distance) C4'-P energy: -39.791
bonds (distance) P-C4' energy: -39.347
flat angles C4'-P-C4' energy: -39.795
flat angles P-C4'-P energy: -29.967
tors. eta vs tors. theta energy: -57.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -573.361757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.361757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.361757 (E_RNA)
where:
Base-Base interactions energy: -374.317
where: short stacking energy: -165.061
Base-Backbone interact. energy: -0.100
local terms energy: -198.944620
where:
bonds (distance) C4'-P energy: -43.478
bonds (distance) P-C4' energy: -40.172
flat angles C4'-P-C4' energy: -28.615
flat angles P-C4'-P energy: -29.776
tors. eta vs tors. theta energy: -56.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -568.909402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.909402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.909402 (E_RNA)
where:
Base-Base interactions energy: -386.094
where: short stacking energy: -156.790
Base-Backbone interact. energy: -0.381
local terms energy: -182.434295
where:
bonds (distance) C4'-P energy: -29.674
bonds (distance) P-C4' energy: -45.355
flat angles C4'-P-C4' energy: -38.332
flat angles P-C4'-P energy: -21.840
tors. eta vs tors. theta energy: -47.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -217.276030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.276030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.276030 (E_RNA)
where:
Base-Base interactions energy: -98.118
where: short stacking energy: -77.003
Base-Backbone interact. energy: -1.289
local terms energy: -117.868758
where:
bonds (distance) C4'-P energy: -32.522
bonds (distance) P-C4' energy: -27.223
flat angles C4'-P-C4' energy: -36.133
flat angles P-C4'-P energy: -15.595
tors. eta vs tors. theta energy: -6.397
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: 5
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -207.781374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.781374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.781374 (E_RNA)
where:
Base-Base interactions energy: -93.661
where: short stacking energy: -60.256
Base-Backbone interact. energy: -0.204
local terms energy: -113.916366
where:
bonds (distance) C4'-P energy: -30.751
bonds (distance) P-C4' energy: -33.106
flat angles C4'-P-C4' energy: -35.137
flat angles P-C4'-P energy: -15.413
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: 1
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -192.517190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.517190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.517190 (E_RNA)
where:
Base-Base interactions energy: -61.882
where: short stacking energy: -41.828
Base-Backbone interact. energy: 0.448
local terms energy: -131.083968
where:
bonds (distance) C4'-P energy: -37.667
bonds (distance) P-C4' energy: -30.244
flat angles C4'-P-C4' energy: -40.303
flat angles P-C4'-P energy: -21.423
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: 3
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -180.402794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.402794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.402794 (E_RNA)
where:
Base-Base interactions energy: -53.003
where: short stacking energy: -27.975
Base-Backbone interact. energy: -0.887
local terms energy: -126.512521
where:
bonds (distance) C4'-P energy: -33.052
bonds (distance) P-C4' energy: -41.796
flat angles C4'-P-C4' energy: -29.001
flat angles P-C4'-P energy: -20.861
tors. eta vs tors. theta energy: -1.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -677.461763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.461763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.461763 (E_RNA)
where:
Base-Base interactions energy: -442.852
where: short stacking energy: -209.448
Base-Backbone interact. energy: -0.479
local terms energy: -234.130199
where:
bonds (distance) C4'-P energy: -41.599
bonds (distance) P-C4' energy: -49.438
flat angles C4'-P-C4' energy: -41.986
flat angles P-C4'-P energy: -29.289
tors. eta vs tors. theta energy: -71.818
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: 6
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -639.825833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.825833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.825833 (E_RNA)
where:
Base-Base interactions energy: -432.228
where: short stacking energy: -204.338
Base-Backbone interact. energy: -0.122
local terms energy: -207.475664
where:
bonds (distance) C4'-P energy: -41.838
bonds (distance) P-C4' energy: -32.916
flat angles C4'-P-C4' energy: -40.040
flat angles P-C4'-P energy: -30.480
tors. eta vs tors. theta energy: -62.202
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: 9
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -602.064355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.064355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.064355 (E_RNA)
where:
Base-Base interactions energy: -403.103
where: short stacking energy: -192.771
Base-Backbone interact. energy: -1.106
local terms energy: -197.854900
where:
bonds (distance) C4'-P energy: -34.501
bonds (distance) P-C4' energy: -36.476
flat angles C4'-P-C4' energy: -40.805
flat angles P-C4'-P energy: -29.240
tors. eta vs tors. theta energy: -56.833
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: 7
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -560.040967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.040967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.040967 (E_RNA)
where:
Base-Base interactions energy: -380.651
where: short stacking energy: -173.595
Base-Backbone interact. energy: -0.532
local terms energy: -178.857367
where:
bonds (distance) C4'-P energy: -28.106
bonds (distance) P-C4' energy: -36.793
flat angles C4'-P-C4' energy: -43.422
flat angles P-C4'-P energy: -24.480
tors. eta vs tors. theta energy: -46.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -574.086712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.086712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.086712 (E_RNA)
where:
Base-Base interactions energy: -391.027
where: short stacking energy: -159.278
Base-Backbone interact. energy: -0.782
local terms energy: -182.277905
where:
bonds (distance) C4'-P energy: -29.114
bonds (distance) P-C4' energy: -38.613
flat angles C4'-P-C4' energy: -41.038
flat angles P-C4'-P energy: -21.912
tors. eta vs tors. theta energy: -51.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -539.810408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.810408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.810408 (E_RNA)
where:
Base-Base interactions energy: -356.162
where: short stacking energy: -159.443
Base-Backbone interact. energy: -1.015
local terms energy: -182.634125
where:
bonds (distance) C4'-P energy: -28.896
bonds (distance) P-C4' energy: -40.001
flat angles C4'-P-C4' energy: -38.402
flat angles P-C4'-P energy: -29.969
tors. eta vs tors. theta energy: -45.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -248.061350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.061350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.061350 (E_RNA)
where:
Base-Base interactions energy: -105.303
where: short stacking energy: -66.263
Base-Backbone interact. energy: 1.512
local terms energy: -144.269736
where:
bonds (distance) C4'-P energy: -38.456
bonds (distance) P-C4' energy: -34.080
flat angles C4'-P-C4' energy: -35.441
flat angles P-C4'-P energy: -23.468
tors. eta vs tors. theta energy: -12.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -197.891193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.891193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.891193 (E_RNA)
where:
Base-Base interactions energy: -69.299
where: short stacking energy: -64.761
Base-Backbone interact. energy: 2.688
local terms energy: -131.280605
where:
bonds (distance) C4'-P energy: -28.637
bonds (distance) P-C4' energy: -40.070
flat angles C4'-P-C4' energy: -28.290
flat angles P-C4'-P energy: -26.898
tors. eta vs tors. theta energy: -7.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -187.508158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.508158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.508158 (E_RNA)
where:
Base-Base interactions energy: -93.774
where: short stacking energy: -63.775
Base-Backbone interact. energy: -0.582
local terms energy: -93.152244
where:
bonds (distance) C4'-P energy: -20.772
bonds (distance) P-C4' energy: -30.747
flat angles C4'-P-C4' energy: -24.676
flat angles P-C4'-P energy: -16.923
tors. eta vs tors. theta energy: -0.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -176.845027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.845027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.845027 (E_RNA)
where:
Base-Base interactions energy: -66.049
where: short stacking energy: -56.016
Base-Backbone interact. energy: -0.611
local terms energy: -110.184310
where:
bonds (distance) C4'-P energy: -36.817
bonds (distance) P-C4' energy: -35.681
flat angles C4'-P-C4' energy: -18.023
flat angles P-C4'-P energy: -12.962
tors. eta vs tors. theta energy: -6.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -675.386174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.386174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.386174 (E_RNA)
where:
Base-Base interactions energy: -458.018
where: short stacking energy: -212.188
Base-Backbone interact. energy: 1.239
local terms energy: -218.607058
where:
bonds (distance) C4'-P energy: -41.122
bonds (distance) P-C4' energy: -40.475
flat angles C4'-P-C4' energy: -44.920
flat angles P-C4'-P energy: -25.638
tors. eta vs tors. theta energy: -66.452
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: 9
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -643.447357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.447357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.447357 (E_RNA)
where:
Base-Base interactions energy: -425.031
where: short stacking energy: -194.583
Base-Backbone interact. energy: -0.329
local terms energy: -218.088006
where:
bonds (distance) C4'-P energy: -28.848
bonds (distance) P-C4' energy: -47.455
flat angles C4'-P-C4' energy: -47.018
flat angles P-C4'-P energy: -32.444
tors. eta vs tors. theta energy: -62.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -626.813544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.813544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.813544 (E_RNA)
where:
Base-Base interactions energy: -428.580
where: short stacking energy: -196.382
Base-Backbone interact. energy: -0.175
local terms energy: -198.057833
where:
bonds (distance) C4'-P energy: -28.001
bonds (distance) P-C4' energy: -34.880
flat angles C4'-P-C4' energy: -41.134
flat angles P-C4'-P energy: -37.237
tors. eta vs tors. theta energy: -56.806
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: 2
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -602.193832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.193832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.193832 (E_RNA)
where:
Base-Base interactions energy: -396.200
where: short stacking energy: -183.296
Base-Backbone interact. energy: -0.661
local terms energy: -205.332979
where:
bonds (distance) C4'-P energy: -33.451
bonds (distance) P-C4' energy: -45.400
flat angles C4'-P-C4' energy: -42.660
flat angles P-C4'-P energy: -24.336
tors. eta vs tors. theta energy: -59.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -571.771916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.771916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.771916 (E_RNA)
where:
Base-Base interactions energy: -375.046
where: short stacking energy: -156.416
Base-Backbone interact. energy: -1.151
local terms energy: -195.574709
where:
bonds (distance) C4'-P energy: -34.059
bonds (distance) P-C4' energy: -38.233
flat angles C4'-P-C4' energy: -43.785
flat angles P-C4'-P energy: -27.601
tors. eta vs tors. theta energy: -51.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -528.063736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.063736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.063736 (E_RNA)
where:
Base-Base interactions energy: -352.290
where: short stacking energy: -158.168
Base-Backbone interact. energy: -0.231
local terms energy: -175.542159
where:
bonds (distance) C4'-P energy: -25.299
bonds (distance) P-C4' energy: -43.053
flat angles C4'-P-C4' energy: -36.225
flat angles P-C4'-P energy: -24.227
tors. eta vs tors. theta energy: -46.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -207.003109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.003109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.003109 (E_RNA)
where:
Base-Base interactions energy: -71.907
where: short stacking energy: -68.251
Base-Backbone interact. energy: 1.369
local terms energy: -136.465081
where:
bonds (distance) C4'-P energy: -38.122
bonds (distance) P-C4' energy: -41.261
flat angles C4'-P-C4' energy: -27.697
flat angles P-C4'-P energy: -23.088
tors. eta vs tors. theta energy: -6.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -190.791089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.791089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.791089 (E_RNA)
where:
Base-Base interactions energy: -92.313
where: short stacking energy: -51.018
Base-Backbone interact. energy: -0.515
local terms energy: -97.962803
where:
bonds (distance) C4'-P energy: -30.843
bonds (distance) P-C4' energy: -28.782
flat angles C4'-P-C4' energy: -28.528
flat angles P-C4'-P energy: -10.646
tors. eta vs tors. theta energy: 0.836
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: 9, replica: 10
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -188.025069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.025069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.025069 (E_RNA)
where:
Base-Base interactions energy: -59.255
where: short stacking energy: -52.917
Base-Backbone interact. energy: -0.439
local terms energy: -128.331347
where:
bonds (distance) C4'-P energy: -31.842
bonds (distance) P-C4' energy: -33.921
flat angles C4'-P-C4' energy: -33.629
flat angles P-C4'-P energy: -19.286
tors. eta vs tors. theta energy: -9.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -203.229379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.229379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.229379 (E_RNA)
where:
Base-Base interactions energy: -97.018
where: short stacking energy: -61.565
Base-Backbone interact. energy: -0.314
local terms energy: -105.897130
where:
bonds (distance) C4'-P energy: -22.103
bonds (distance) P-C4' energy: -41.908
flat angles C4'-P-C4' energy: -28.485
flat angles P-C4'-P energy: -13.942
tors. eta vs tors. theta energy: 0.541
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: 4
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -676.670500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.670500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.670500 (E_RNA)
where:
Base-Base interactions energy: -451.616
where: short stacking energy: -201.791
Base-Backbone interact. energy: -0.203
local terms energy: -224.851142
where:
bonds (distance) C4'-P energy: -45.385
bonds (distance) P-C4' energy: -41.349
flat angles C4'-P-C4' energy: -45.968
flat angles P-C4'-P energy: -29.965
tors. eta vs tors. theta energy: -62.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -611.307467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.307467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.307467 (E_RNA)
where:
Base-Base interactions energy: -394.132
where: short stacking energy: -199.080
Base-Backbone interact. energy: -0.274
local terms energy: -216.901290
where:
bonds (distance) C4'-P energy: -29.713
bonds (distance) P-C4' energy: -36.439
flat angles C4'-P-C4' energy: -47.196
flat angles P-C4'-P energy: -35.306
tors. eta vs tors. theta energy: -68.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -649.534117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.534117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.534117 (E_RNA)
where:
Base-Base interactions energy: -432.025
where: short stacking energy: -190.474
Base-Backbone interact. energy: -0.074
local terms energy: -217.435050
where:
bonds (distance) C4'-P energy: -31.879
bonds (distance) P-C4' energy: -44.724
flat angles C4'-P-C4' energy: -44.765
flat angles P-C4'-P energy: -33.131
tors. eta vs tors. theta energy: -62.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -592.760496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.760496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.760496 (E_RNA)
where:
Base-Base interactions energy: -387.323
where: short stacking energy: -180.750
Base-Backbone interact. energy: -2.060
local terms energy: -203.377632
where:
bonds (distance) C4'-P energy: -34.433
bonds (distance) P-C4' energy: -42.508
flat angles C4'-P-C4' energy: -38.747
flat angles P-C4'-P energy: -30.175
tors. eta vs tors. theta energy: -57.514
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: 8
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -561.116317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.116317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.116317 (E_RNA)
where:
Base-Base interactions energy: -381.747
where: short stacking energy: -172.212
Base-Backbone interact. energy: 0.534
local terms energy: -179.903528
where:
bonds (distance) C4'-P energy: -33.700
bonds (distance) P-C4' energy: -36.074
flat angles C4'-P-C4' energy: -42.171
flat angles P-C4'-P energy: -20.845
tors. eta vs tors. theta energy: -47.114
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: 7
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -553.338392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.338392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.338392 (E_RNA)
where:
Base-Base interactions energy: -366.078
where: short stacking energy: -176.018
Base-Backbone interact. energy: -0.290
local terms energy: -186.969637
where:
bonds (distance) C4'-P energy: -24.941
bonds (distance) P-C4' energy: -42.527
flat angles C4'-P-C4' energy: -39.236
flat angles P-C4'-P energy: -26.018
tors. eta vs tors. theta energy: -54.247
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: 7, replica: 3
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -209.544003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.544003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.544003 (E_RNA)
where:
Base-Base interactions energy: -87.735
where: short stacking energy: -69.127
Base-Backbone interact. energy: -0.323
local terms energy: -121.485659
where:
bonds (distance) C4'-P energy: -40.767
bonds (distance) P-C4' energy: -33.998
flat angles C4'-P-C4' energy: -18.948
flat angles P-C4'-P energy: -22.954
tors. eta vs tors. theta energy: -4.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -202.652303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.652303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.652303 (E_RNA)
where:
Base-Base interactions energy: -82.948
where: short stacking energy: -71.378
Base-Backbone interact. energy: 2.105
local terms energy: -121.809774
where:
bonds (distance) C4'-P energy: -32.270
bonds (distance) P-C4' energy: -30.118
flat angles C4'-P-C4' energy: -38.639
flat angles P-C4'-P energy: -18.895
tors. eta vs tors. theta energy: -1.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -242.014098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.014098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.014098 (E_RNA)
where:
Base-Base interactions energy: -117.480
where: short stacking energy: -61.800
Base-Backbone interact. energy: -1.261
local terms energy: -123.273643
where:
bonds (distance) C4'-P energy: -37.836
bonds (distance) P-C4' energy: -32.097
flat angles C4'-P-C4' energy: -28.395
flat angles P-C4'-P energy: -22.219
tors. eta vs tors. theta energy: -2.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -164.020649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.020649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.020649 (E_RNA)
where:
Base-Base interactions energy: -73.381
where: short stacking energy: -45.269
Base-Backbone interact. energy: 4.908
local terms energy: -95.548300
where:
bonds (distance) C4'-P energy: -24.650
bonds (distance) P-C4' energy: -27.362
flat angles C4'-P-C4' energy: -28.048
flat angles P-C4'-P energy: -18.621
tors. eta vs tors. theta energy: 3.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -681.630842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.630842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.630842 (E_RNA)
where:
Base-Base interactions energy: -448.194
where: short stacking energy: -215.819
Base-Backbone interact. energy: -0.668
local terms energy: -232.769138
where:
bonds (distance) C4'-P energy: -43.623
bonds (distance) P-C4' energy: -44.142
flat angles C4'-P-C4' energy: -43.116
flat angles P-C4'-P energy: -32.517
tors. eta vs tors. theta energy: -69.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -651.839159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.839159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.839159 (E_RNA)
where:
Base-Base interactions energy: -434.573
where: short stacking energy: -199.274
Base-Backbone interact. energy: -0.159
local terms energy: -217.107860
where:
bonds (distance) C4'-P energy: -36.632
bonds (distance) P-C4' energy: -42.395
flat angles C4'-P-C4' energy: -40.466
flat angles P-C4'-P energy: -34.236
tors. eta vs tors. theta energy: -63.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -607.627755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.627755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.627755 (E_RNA)
where:
Base-Base interactions energy: -386.131
where: short stacking energy: -185.067
Base-Backbone interact. energy: -0.094
local terms energy: -221.402213
where:
bonds (distance) C4'-P energy: -38.693
bonds (distance) P-C4' energy: -41.593
flat angles C4'-P-C4' energy: -47.717
flat angles P-C4'-P energy: -31.061
tors. eta vs tors. theta energy: -62.337
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: 4, replica: 2
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -593.771689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.771689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.771689 (E_RNA)
where:
Base-Base interactions energy: -388.396
where: short stacking energy: -178.807
Base-Backbone interact. energy: -0.262
local terms energy: -205.114157
where:
bonds (distance) C4'-P energy: -36.199
bonds (distance) P-C4' energy: -36.619
flat angles C4'-P-C4' energy: -45.594
flat angles P-C4'-P energy: -29.389
tors. eta vs tors. theta energy: -57.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -570.051527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.051527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.051527 (E_RNA)
where:
Base-Base interactions energy: -375.410
where: short stacking energy: -173.945
Base-Backbone interact. energy: 1.358
local terms energy: -195.999968
where:
bonds (distance) C4'-P energy: -28.671
bonds (distance) P-C4' energy: -42.649
flat angles C4'-P-C4' energy: -41.492
flat angles P-C4'-P energy: -31.334
tors. eta vs tors. theta energy: -51.854
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: 7
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -556.257732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.257732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.257732 (E_RNA)
where:
Base-Base interactions energy: -364.892
where: short stacking energy: -167.188
Base-Backbone interact. energy: -0.054
local terms energy: -191.311564
where:
bonds (distance) C4'-P energy: -30.600
bonds (distance) P-C4' energy: -28.312
flat angles C4'-P-C4' energy: -45.120
flat angles P-C4'-P energy: -35.063
tors. eta vs tors. theta energy: -52.216
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: 7, replica: 3
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -190.182164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.182164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.182164 (E_RNA)
where:
Base-Base interactions energy: -67.704
where: short stacking energy: -51.068
Base-Backbone interact. energy: -0.287
local terms energy: -122.191866
where:
bonds (distance) C4'-P energy: -39.702
bonds (distance) P-C4' energy: -39.013
flat angles C4'-P-C4' energy: -26.011
flat angles P-C4'-P energy: -16.999
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: 8, replica: 1
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -240.207955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.207955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.207955 (E_RNA)
where:
Base-Base interactions energy: -117.109
where: short stacking energy: -67.231
Base-Backbone interact. energy: 0.333
local terms energy: -123.431475
where:
bonds (distance) C4'-P energy: -37.856
bonds (distance) P-C4' energy: -32.974
flat angles C4'-P-C4' energy: -28.414
flat angles P-C4'-P energy: -20.971
tors. eta vs tors. theta energy: -3.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -172.054569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.054569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.054569 (E_RNA)
where:
Base-Base interactions energy: -78.801
where: short stacking energy: -40.919
Base-Backbone interact. energy: 3.079
local terms energy: -96.332548
where:
bonds (distance) C4'-P energy: -30.772
bonds (distance) P-C4' energy: -34.686
flat angles C4'-P-C4' energy: -28.471
flat angles P-C4'-P energy: -9.321
tors. eta vs tors. theta energy: 6.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -157.558498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.558498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.558498 (E_RNA)
where:
Base-Base interactions energy: -62.276
where: short stacking energy: -30.672
Base-Backbone interact. energy: 1.640
local terms energy: -96.922978
where:
bonds (distance) C4'-P energy: -37.843
bonds (distance) P-C4' energy: -32.075
flat angles C4'-P-C4' energy: -29.741
flat angles P-C4'-P energy: -6.699
tors. eta vs tors. theta energy: 9.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -663.954956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.954956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.954956 (E_RNA)
where:
Base-Base interactions energy: -452.347
where: short stacking energy: -209.188
Base-Backbone interact. energy: -2.500
local terms energy: -209.108212
where:
bonds (distance) C4'-P energy: -29.952
bonds (distance) P-C4' energy: -35.985
flat angles C4'-P-C4' energy: -50.323
flat angles P-C4'-P energy: -33.787
tors. eta vs tors. theta energy: -59.062
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: 6
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -644.949350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.949350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.949350 (E_RNA)
where:
Base-Base interactions energy: -423.393
where: short stacking energy: -201.368
Base-Backbone interact. energy: 0.380
local terms energy: -221.936361
where:
bonds (distance) C4'-P energy: -39.090
bonds (distance) P-C4' energy: -42.929
flat angles C4'-P-C4' energy: -41.828
flat angles P-C4'-P energy: -30.655
tors. eta vs tors. theta energy: -67.434
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: 2
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -610.924058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.924058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.924058 (E_RNA)
where:
Base-Base interactions energy: -396.315
where: short stacking energy: -174.205
Base-Backbone interact. energy: -1.616
local terms energy: -212.993207
where:
bonds (distance) C4'-P energy: -42.672
bonds (distance) P-C4' energy: -36.504
flat angles C4'-P-C4' energy: -45.997
flat angles P-C4'-P energy: -32.763
tors. eta vs tors. theta energy: -55.056
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: 9
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -584.503591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.503591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.503591 (E_RNA)
where:
Base-Base interactions energy: -371.750
where: short stacking energy: -182.620
Base-Backbone interact. energy: -0.280
local terms energy: -212.474247
where:
bonds (distance) C4'-P energy: -37.366
bonds (distance) P-C4' energy: -42.152
flat angles C4'-P-C4' energy: -43.102
flat angles P-C4'-P energy: -31.350
tors. eta vs tors. theta energy: -58.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -554.907758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.907758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.907758 (E_RNA)
where:
Base-Base interactions energy: -358.465
where: short stacking energy: -173.187
Base-Backbone interact. energy: -0.097
local terms energy: -196.345560
where:
bonds (distance) C4'-P energy: -36.527
bonds (distance) P-C4' energy: -34.577
flat angles C4'-P-C4' energy: -39.206
flat angles P-C4'-P energy: -33.327
tors. eta vs tors. theta energy: -52.708
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: 8
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -564.965603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.965603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.965603 (E_RNA)
where:
Base-Base interactions energy: -381.647
where: short stacking energy: -184.569
Base-Backbone interact. energy: -0.791
local terms energy: -182.527216
where:
bonds (distance) C4'-P energy: -25.079
bonds (distance) P-C4' energy: -37.452
flat angles C4'-P-C4' energy: -35.640
flat angles P-C4'-P energy: -30.927
tors. eta vs tors. theta energy: -53.428
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: 226
Temperature: 1.200000
Total energy: -291.530179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.530179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.530179 (E_RNA)
where:
Base-Base interactions energy: -156.906
where: short stacking energy: -86.706
Base-Backbone interact. energy: 2.695
local terms energy: -137.319091
where:
bonds (distance) C4'-P energy: -35.739
bonds (distance) P-C4' energy: -38.254
flat angles C4'-P-C4' energy: -29.324
flat angles P-C4'-P energy: -24.007
tors. eta vs tors. theta energy: -9.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -185.833308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.833308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.833308 (E_RNA)
where:
Base-Base interactions energy: -63.463
where: short stacking energy: -50.462
Base-Backbone interact. energy: -0.462
local terms energy: -121.908673
where:
bonds (distance) C4'-P energy: -43.880
bonds (distance) P-C4' energy: -34.224
flat angles C4'-P-C4' energy: -31.482
flat angles P-C4'-P energy: -15.069
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: 9, replica: 5
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -196.377049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.377049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.377049 (E_RNA)
where:
Base-Base interactions energy: -82.280
where: short stacking energy: -47.830
Base-Backbone interact. energy: -0.374
local terms energy: -113.723280
where:
bonds (distance) C4'-P energy: -39.681
bonds (distance) P-C4' energy: -38.214
flat angles C4'-P-C4' energy: -33.903
flat angles P-C4'-P energy: -14.538
tors. eta vs tors. theta energy: 12.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -186.769034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.769034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.769034 (E_RNA)
where:
Base-Base interactions energy: -75.832
where: short stacking energy: -59.048
Base-Backbone interact. energy: 0.613
local terms energy: -111.550174
where:
bonds (distance) C4'-P energy: -39.353
bonds (distance) P-C4' energy: -31.240
flat angles C4'-P-C4' energy: -16.086
flat angles P-C4'-P energy: -17.880
tors. eta vs tors. theta energy: -6.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -679.223016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.223016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.223016 (E_RNA)
where:
Base-Base interactions energy: -457.100
where: short stacking energy: -203.654
Base-Backbone interact. energy: -0.064
local terms energy: -222.058251
where:
bonds (distance) C4'-P energy: -40.435
bonds (distance) P-C4' energy: -39.337
flat angles C4'-P-C4' energy: -44.890
flat angles P-C4'-P energy: -28.717
tors. eta vs tors. theta energy: -68.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -622.617391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.617391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.617391 (E_RNA)
where:
Base-Base interactions energy: -406.895
where: short stacking energy: -195.137
Base-Backbone interact. energy: -0.100
local terms energy: -215.621894
where:
bonds (distance) C4'-P energy: -37.325
bonds (distance) P-C4' energy: -35.680
flat angles C4'-P-C4' energy: -45.645
flat angles P-C4'-P energy: -32.737
tors. eta vs tors. theta energy: -64.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -605.680089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.680089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.680089 (E_RNA)
where:
Base-Base interactions energy: -401.807
where: short stacking energy: -175.796
Base-Backbone interact. energy: -0.124
local terms energy: -203.748819
where:
bonds (distance) C4'-P energy: -40.618
bonds (distance) P-C4' energy: -34.479
flat angles C4'-P-C4' energy: -44.618
flat angles P-C4'-P energy: -32.231
tors. eta vs tors. theta energy: -51.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -585.022851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.022851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.022851 (E_RNA)
where:
Base-Base interactions energy: -374.584
where: short stacking energy: -180.193
Base-Backbone interact. energy: -0.084
local terms energy: -210.354187
where:
bonds (distance) C4'-P energy: -38.164
bonds (distance) P-C4' energy: -35.480
flat angles C4'-P-C4' energy: -44.667
flat angles P-C4'-P energy: -26.781
tors. eta vs tors. theta energy: -65.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -556.070263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.070263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.070263 (E_RNA)
where:
Base-Base interactions energy: -373.413
where: short stacking energy: -172.107
Base-Backbone interact. energy: 0.566
local terms energy: -183.223168
where:
bonds (distance) C4'-P energy: -24.586
bonds (distance) P-C4' energy: -36.673
flat angles C4'-P-C4' energy: -43.266
flat angles P-C4'-P energy: -27.312
tors. eta vs tors. theta energy: -51.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -554.460499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.460499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.460499 (E_RNA)
where:
Base-Base interactions energy: -359.790
where: short stacking energy: -176.300
Base-Backbone interact. energy: -0.107
local terms energy: -194.563241
where:
bonds (distance) C4'-P energy: -36.889
bonds (distance) P-C4' energy: -39.412
flat angles C4'-P-C4' energy: -36.115
flat angles P-C4'-P energy: -29.461
tors. eta vs tors. theta energy: -52.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -281.899206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.899206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.899206 (E_RNA)
where:
Base-Base interactions energy: -154.633
where: short stacking energy: -93.375
Base-Backbone interact. energy: 0.332
local terms energy: -127.598232
where:
bonds (distance) C4'-P energy: -35.937
bonds (distance) P-C4' energy: -26.851
flat angles C4'-P-C4' energy: -29.062
flat angles P-C4'-P energy: -17.790
tors. eta vs tors. theta energy: -17.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -216.236323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.236323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.236323 (E_RNA)
where:
Base-Base interactions energy: -69.819
where: short stacking energy: -54.532
Base-Backbone interact. energy: -2.330
local terms energy: -144.087245
where:
bonds (distance) C4'-P energy: -42.036
bonds (distance) P-C4' energy: -35.638
flat angles C4'-P-C4' energy: -31.250
flat angles P-C4'-P energy: -30.424
tors. eta vs tors. theta energy: -4.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -185.326491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.326491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.326491 (E_RNA)
where:
Base-Base interactions energy: -88.091
where: short stacking energy: -51.180
Base-Backbone interact. energy: -0.139
local terms energy: -97.096422
where:
bonds (distance) C4'-P energy: -26.703
bonds (distance) P-C4' energy: -35.288
flat angles C4'-P-C4' energy: -26.217
flat angles P-C4'-P energy: -15.110
tors. eta vs tors. theta energy: 6.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -159.843124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.843124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.843124 (E_RNA)
where:
Base-Base interactions energy: -49.900
where: short stacking energy: -49.900
Base-Backbone interact. energy: -0.280
local terms energy: -109.663446
where:
bonds (distance) C4'-P energy: -31.063
bonds (distance) P-C4' energy: -27.627
flat angles C4'-P-C4' energy: -24.303
flat angles P-C4'-P energy: -24.508
tors. eta vs tors. theta energy: -2.163
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: 4
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -673.951536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.951536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.951536 (E_RNA)
where:
Base-Base interactions energy: -441.634
where: short stacking energy: -206.464
Base-Backbone interact. energy: -0.249
local terms energy: -232.068936
where:
bonds (distance) C4'-P energy: -45.273
bonds (distance) P-C4' energy: -42.724
flat angles C4'-P-C4' energy: -45.136
flat angles P-C4'-P energy: -30.186
tors. eta vs tors. theta energy: -68.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -628.520014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.520014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.520014 (E_RNA)
where:
Base-Base interactions energy: -414.116
where: short stacking energy: -193.056
Base-Backbone interact. energy: -0.103
local terms energy: -214.301285
where:
bonds (distance) C4'-P energy: -38.401
bonds (distance) P-C4' energy: -42.187
flat angles C4'-P-C4' energy: -43.527
flat angles P-C4'-P energy: -26.716
tors. eta vs tors. theta energy: -63.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -615.737234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.737234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.737234 (E_RNA)
where:
Base-Base interactions energy: -402.460
where: short stacking energy: -185.775
Base-Backbone interact. energy: -0.038
local terms energy: -213.238744
where:
bonds (distance) C4'-P energy: -41.383
bonds (distance) P-C4' energy: -36.777
flat angles C4'-P-C4' energy: -43.493
flat angles P-C4'-P energy: -30.992
tors. eta vs tors. theta energy: -60.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -590.707031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.707031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.707031 (E_RNA)
where:
Base-Base interactions energy: -389.334
where: short stacking energy: -158.990
Base-Backbone interact. energy: -1.056
local terms energy: -200.316632
where:
bonds (distance) C4'-P energy: -38.870
bonds (distance) P-C4' energy: -39.493
flat angles C4'-P-C4' energy: -40.494
flat angles P-C4'-P energy: -32.971
tors. eta vs tors. theta energy: -48.489
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: 8
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -578.982423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.982423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.982423 (E_RNA)
where:
Base-Base interactions energy: -375.876
where: short stacking energy: -182.695
Base-Backbone interact. energy: -0.338
local terms energy: -202.768370
where:
bonds (distance) C4'-P energy: -34.835
bonds (distance) P-C4' energy: -35.411
flat angles C4'-P-C4' energy: -40.973
flat angles P-C4'-P energy: -29.800
tors. eta vs tors. theta energy: -61.750
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: 7
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -541.790346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.790346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.790346 (E_RNA)
where:
Base-Base interactions energy: -359.108
where: short stacking energy: -163.961
Base-Backbone interact. energy: -1.539
local terms energy: -181.143674
where:
bonds (distance) C4'-P energy: -31.549
bonds (distance) P-C4' energy: -37.693
flat angles C4'-P-C4' energy: -34.458
flat angles P-C4'-P energy: -27.851
tors. eta vs tors. theta energy: -49.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -255.406093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.406093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.406093 (E_RNA)
where:
Base-Base interactions energy: -142.092
where: short stacking energy: -79.943
Base-Backbone interact. energy: -0.699
local terms energy: -112.615375
where:
bonds (distance) C4'-P energy: -27.943
bonds (distance) P-C4' energy: -31.798
flat angles C4'-P-C4' energy: -26.045
flat angles P-C4'-P energy: -15.243
tors. eta vs tors. theta energy: -11.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -209.488097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.488097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.488097 (E_RNA)
where:
Base-Base interactions energy: -85.688
where: short stacking energy: -57.423
Base-Backbone interact. energy: -0.889
local terms energy: -122.911091
where:
bonds (distance) C4'-P energy: -31.488
bonds (distance) P-C4' energy: -37.274
flat angles C4'-P-C4' energy: -31.466
flat angles P-C4'-P energy: -15.622
tors. eta vs tors. theta energy: -7.061
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: 9, replica: 10
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -197.001096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.001096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.001096 (E_RNA)
where:
Base-Base interactions energy: -92.752
where: short stacking energy: -62.800
Base-Backbone interact. energy: -0.231
local terms energy: -104.018627
where:
bonds (distance) C4'-P energy: -16.425
bonds (distance) P-C4' energy: -35.188
flat angles C4'-P-C4' energy: -25.062
flat angles P-C4'-P energy: -23.237
tors. eta vs tors. theta energy: -4.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -163.944588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.944588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.944588 (E_RNA)
where:
Base-Base interactions energy: -51.643
where: short stacking energy: -43.126
Base-Backbone interact. energy: -1.511
local terms energy: -110.790958
where:
bonds (distance) C4'-P energy: -34.567
bonds (distance) P-C4' energy: -35.260
flat angles C4'-P-C4' energy: -29.069
flat angles P-C4'-P energy: -21.096
tors. eta vs tors. theta energy: 9.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -671.749442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.749442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.749442 (E_RNA)
where:
Base-Base interactions energy: -455.360
where: short stacking energy: -215.194
Base-Backbone interact. energy: 1.300
local terms energy: -217.688704
where:
bonds (distance) C4'-P energy: -38.784
bonds (distance) P-C4' energy: -33.168
flat angles C4'-P-C4' energy: -48.335
flat angles P-C4'-P energy: -33.175
tors. eta vs tors. theta energy: -64.226
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: 2, replica: 9
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -619.879758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.879758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.879758 (E_RNA)
where:
Base-Base interactions energy: -401.732
where: short stacking energy: -189.504
Base-Backbone interact. energy: -0.159
local terms energy: -217.988895
where:
bonds (distance) C4'-P energy: -41.398
bonds (distance) P-C4' energy: -45.187
flat angles C4'-P-C4' energy: -32.311
flat angles P-C4'-P energy: -31.284
tors. eta vs tors. theta energy: -67.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -618.834080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.834080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.834080 (E_RNA)
where:
Base-Base interactions energy: -408.544
where: short stacking energy: -192.993
Base-Backbone interact. energy: -0.253
local terms energy: -210.037342
where:
bonds (distance) C4'-P energy: -38.407
bonds (distance) P-C4' energy: -35.854
flat angles C4'-P-C4' energy: -42.910
flat angles P-C4'-P energy: -29.809
tors. eta vs tors. theta energy: -63.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -577.590880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.590880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.590880 (E_RNA)
where:
Base-Base interactions energy: -373.674
where: short stacking energy: -179.510
Base-Backbone interact. energy: 0.047
local terms energy: -203.963573
where:
bonds (distance) C4'-P energy: -38.969
bonds (distance) P-C4' energy: -29.526
flat angles C4'-P-C4' energy: -48.963
flat angles P-C4'-P energy: -28.804
tors. eta vs tors. theta energy: -57.700
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: 2
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -572.493155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.493155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.493155 (E_RNA)
where:
Base-Base interactions energy: -380.623
where: short stacking energy: -161.308
Base-Backbone interact. energy: -0.786
local terms energy: -191.084689
where:
bonds (distance) C4'-P energy: -35.026
bonds (distance) P-C4' energy: -30.512
flat angles C4'-P-C4' energy: -43.299
flat angles P-C4'-P energy: -26.637
tors. eta vs tors. theta energy: -55.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -544.386628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.386628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.386628 (E_RNA)
where:
Base-Base interactions energy: -350.737
where: short stacking energy: -162.107
Base-Backbone interact. energy: -0.925
local terms energy: -192.724795
where:
bonds (distance) C4'-P energy: -41.691
bonds (distance) P-C4' energy: -29.989
flat angles C4'-P-C4' energy: -43.826
flat angles P-C4'-P energy: -29.173
tors. eta vs tors. theta energy: -48.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -281.707711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.707711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.707711 (E_RNA)
where:
Base-Base interactions energy: -129.157
where: short stacking energy: -87.648
Base-Backbone interact. energy: 1.859
local terms energy: -154.408893
where:
bonds (distance) C4'-P energy: -32.617
bonds (distance) P-C4' energy: -41.791
flat angles C4'-P-C4' energy: -37.404
flat angles P-C4'-P energy: -29.197
tors. eta vs tors. theta energy: -13.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -207.800094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.800094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.800094 (E_RNA)
where:
Base-Base interactions energy: -86.283
where: short stacking energy: -46.831
Base-Backbone interact. energy: -1.474
local terms energy: -120.043159
where:
bonds (distance) C4'-P energy: -36.180
bonds (distance) P-C4' energy: -34.772
flat angles C4'-P-C4' energy: -30.557
flat angles P-C4'-P energy: -19.060
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: 9, replica: 10
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -176.713524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.713524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.713524 (E_RNA)
where:
Base-Base interactions energy: -63.062
where: short stacking energy: -50.745
Base-Backbone interact. energy: -0.809
local terms energy: -112.841830
where:
bonds (distance) C4'-P energy: -26.825
bonds (distance) P-C4' energy: -35.456
flat angles C4'-P-C4' energy: -28.148
flat angles P-C4'-P energy: -20.657
tors. eta vs tors. theta energy: -1.756
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: 5
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -159.718942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.718942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.718942 (E_RNA)
where:
Base-Base interactions energy: -61.729
where: short stacking energy: -54.892
Base-Backbone interact. energy: -0.465
local terms energy: -97.524862
where:
bonds (distance) C4'-P energy: -25.923
bonds (distance) P-C4' energy: -35.087
flat angles C4'-P-C4' energy: -28.666
flat angles P-C4'-P energy: -15.328
tors. eta vs tors. theta energy: 7.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -668.952308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.952308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.952308 (E_RNA)
where:
Base-Base interactions energy: -453.838
where: short stacking energy: -194.734
Base-Backbone interact. energy: 0.021
local terms energy: -215.134883
where:
bonds (distance) C4'-P energy: -36.816
bonds (distance) P-C4' energy: -43.169
flat angles C4'-P-C4' energy: -44.911
flat angles P-C4'-P energy: -32.354
tors. eta vs tors. theta energy: -57.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -614.458891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.458891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.458891 (E_RNA)
where:
Base-Base interactions energy: -404.368
where: short stacking energy: -185.992
Base-Backbone interact. energy: 0.391
local terms energy: -210.482641
where:
bonds (distance) C4'-P energy: -37.303
bonds (distance) P-C4' energy: -26.764
flat angles C4'-P-C4' energy: -47.798
flat angles P-C4'-P energy: -35.408
tors. eta vs tors. theta energy: -63.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -626.160666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.160666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.160666 (E_RNA)
where:
Base-Base interactions energy: -413.753
where: short stacking energy: -185.399
Base-Backbone interact. energy: -0.006
local terms energy: -212.401720
where:
bonds (distance) C4'-P energy: -41.175
bonds (distance) P-C4' energy: -35.896
flat angles C4'-P-C4' energy: -42.923
flat angles P-C4'-P energy: -31.930
tors. eta vs tors. theta energy: -60.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -563.314594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.314594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.314594 (E_RNA)
where:
Base-Base interactions energy: -357.542
where: short stacking energy: -174.435
Base-Backbone interact. energy: -0.547
local terms energy: -205.224935
where:
bonds (distance) C4'-P energy: -40.286
bonds (distance) P-C4' energy: -46.897
flat angles C4'-P-C4' energy: -42.427
flat angles P-C4'-P energy: -25.495
tors. eta vs tors. theta energy: -50.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -552.889115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.889115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.889115 (E_RNA)
where:
Base-Base interactions energy: -365.586
where: short stacking energy: -171.462
Base-Backbone interact. energy: -0.329
local terms energy: -186.974328
where:
bonds (distance) C4'-P energy: -35.295
bonds (distance) P-C4' energy: -32.373
flat angles C4'-P-C4' energy: -42.264
flat angles P-C4'-P energy: -32.800
tors. eta vs tors. theta energy: -44.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -544.975000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.975000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.975000 (E_RNA)
where:
Base-Base interactions energy: -351.919
where: short stacking energy: -166.121
Base-Backbone interact. energy: -0.950
local terms energy: -192.105578
where:
bonds (distance) C4'-P energy: -34.656
bonds (distance) P-C4' energy: -32.881
flat angles C4'-P-C4' energy: -38.815
flat angles P-C4'-P energy: -32.384
tors. eta vs tors. theta energy: -53.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -303.839271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.839271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.839271 (E_RNA)
where:
Base-Base interactions energy: -156.160
where: short stacking energy: -99.485
Base-Backbone interact. energy: -0.551
local terms energy: -147.127753
where:
bonds (distance) C4'-P energy: -36.172
bonds (distance) P-C4' energy: -42.993
flat angles C4'-P-C4' energy: -30.765
flat angles P-C4'-P energy: -17.732
tors. eta vs tors. theta energy: -19.465
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: 230
Temperature: 1.250000
Total energy: -191.446681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.446681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.446681 (E_RNA)
where:
Base-Base interactions energy: -66.610
where: short stacking energy: -54.061
Base-Backbone interact. energy: 1.638
local terms energy: -126.474804
where:
bonds (distance) C4'-P energy: -36.752
bonds (distance) P-C4' energy: -36.894
flat angles C4'-P-C4' energy: -29.549
flat angles P-C4'-P energy: -28.828
tors. eta vs tors. theta energy: 5.548
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: 10
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -184.482671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.482671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.482671 (E_RNA)
where:
Base-Base interactions energy: -65.032
where: short stacking energy: -48.427
Base-Backbone interact. energy: -0.389
local terms energy: -119.061125
where:
bonds (distance) C4'-P energy: -31.688
bonds (distance) P-C4' energy: -43.191
flat angles C4'-P-C4' energy: -32.406
flat angles P-C4'-P energy: -15.249
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: 5
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -154.578532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.578532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.578532 (E_RNA)
where:
Base-Base interactions energy: -66.304
where: short stacking energy: -39.861
Base-Backbone interact. energy: 2.148
local terms energy: -90.423283
where:
bonds (distance) C4'-P energy: -31.572
bonds (distance) P-C4' energy: -25.501
flat angles C4'-P-C4' energy: -25.337
flat angles P-C4'-P energy: -10.916
tors. eta vs tors. theta energy: 2.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -684.156067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.156067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.156067 (E_RNA)
where:
Base-Base interactions energy: -470.953
where: short stacking energy: -206.240
Base-Backbone interact. energy: -0.799
local terms energy: -212.404316
where:
bonds (distance) C4'-P energy: -40.613
bonds (distance) P-C4' energy: -41.881
flat angles C4'-P-C4' energy: -41.415
flat angles P-C4'-P energy: -25.788
tors. eta vs tors. theta energy: -62.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -643.024698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.024698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.024698 (E_RNA)
where:
Base-Base interactions energy: -426.040
where: short stacking energy: -201.648
Base-Backbone interact. energy: -0.106
local terms energy: -216.878693
where:
bonds (distance) C4'-P energy: -42.356
bonds (distance) P-C4' energy: -41.795
flat angles C4'-P-C4' energy: -42.269
flat angles P-C4'-P energy: -29.754
tors. eta vs tors. theta energy: -60.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -615.204753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.204753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.204753 (E_RNA)
where:
Base-Base interactions energy: -410.877
where: short stacking energy: -185.765
Base-Backbone interact. energy: -3.380
local terms energy: -200.947879
where:
bonds (distance) C4'-P energy: -40.297
bonds (distance) P-C4' energy: -39.509
flat angles C4'-P-C4' energy: -37.887
flat angles P-C4'-P energy: -26.550
tors. eta vs tors. theta energy: -56.705
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: 8
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -582.195716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.195716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.195716 (E_RNA)
where:
Base-Base interactions energy: -380.511
where: short stacking energy: -200.476
Base-Backbone interact. energy: -0.340
local terms energy: -201.344492
where:
bonds (distance) C4'-P energy: -35.326
bonds (distance) P-C4' energy: -34.018
flat angles C4'-P-C4' energy: -44.402
flat angles P-C4'-P energy: -26.498
tors. eta vs tors. theta energy: -61.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -531.289178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.289178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.289178 (E_RNA)
where:
Base-Base interactions energy: -343.658
where: short stacking energy: -154.759
Base-Backbone interact. energy: -0.338
local terms energy: -187.293034
where:
bonds (distance) C4'-P energy: -41.502
bonds (distance) P-C4' energy: -34.220
flat angles C4'-P-C4' energy: -40.345
flat angles P-C4'-P energy: -25.958
tors. eta vs tors. theta energy: -45.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -520.843779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.843779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.843779 (E_RNA)
where:
Base-Base interactions energy: -343.970
where: short stacking energy: -163.365
Base-Backbone interact. energy: -0.017
local terms energy: -176.856714
where:
bonds (distance) C4'-P energy: -39.399
bonds (distance) P-C4' energy: -23.723
flat angles C4'-P-C4' energy: -43.414
flat angles P-C4'-P energy: -29.669
tors. eta vs tors. theta energy: -40.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -276.375553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.375553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.375553 (E_RNA)
where:
Base-Base interactions energy: -142.112
where: short stacking energy: -81.964
Base-Backbone interact. energy: 2.273
local terms energy: -136.536520
where:
bonds (distance) C4'-P energy: -34.249
bonds (distance) P-C4' energy: -39.365
flat angles C4'-P-C4' energy: -30.928
flat angles P-C4'-P energy: -14.906
tors. eta vs tors. theta energy: -17.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -192.602828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.602828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.602828 (E_RNA)
where:
Base-Base interactions energy: -73.378
where: short stacking energy: -67.465
Base-Backbone interact. energy: -0.536
local terms energy: -118.688479
where:
bonds (distance) C4'-P energy: -27.342
bonds (distance) P-C4' energy: -31.482
flat angles C4'-P-C4' energy: -35.902
flat angles P-C4'-P energy: -21.857
tors. eta vs tors. theta energy: -2.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -198.746776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.746776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.746776 (E_RNA)
where:
Base-Base interactions energy: -90.955
where: short stacking energy: -67.602
Base-Backbone interact. energy: -0.260
local terms energy: -107.532004
where:
bonds (distance) C4'-P energy: -32.130
bonds (distance) P-C4' energy: -28.398
flat angles C4'-P-C4' energy: -32.802
flat angles P-C4'-P energy: -13.895
tors. eta vs tors. theta energy: -0.307
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: 5
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -187.966386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.966386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.966386 (E_RNA)
where:
Base-Base interactions energy: -76.163
where: short stacking energy: -49.932
Base-Backbone interact. energy: -0.586
local terms energy: -111.217603
where:
bonds (distance) C4'-P energy: -37.975
bonds (distance) P-C4' energy: -27.888
flat angles C4'-P-C4' energy: -28.240
flat angles P-C4'-P energy: -25.133
tors. eta vs tors. theta energy: 8.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -687.322166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.322166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.322166 (E_RNA)
where:
Base-Base interactions energy: -472.676
where: short stacking energy: -209.702
Base-Backbone interact. energy: -0.980
local terms energy: -213.665669
where:
bonds (distance) C4'-P energy: -37.044
bonds (distance) P-C4' energy: -38.308
flat angles C4'-P-C4' energy: -46.451
flat angles P-C4'-P energy: -28.193
tors. eta vs tors. theta energy: -63.671
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: 6
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -617.061865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.061865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.061865 (E_RNA)
where:
Base-Base interactions energy: -407.491
where: short stacking energy: -182.760
Base-Backbone interact. energy: -0.602
local terms energy: -208.969111
where:
bonds (distance) C4'-P energy: -42.031
bonds (distance) P-C4' energy: -41.020
flat angles C4'-P-C4' energy: -41.475
flat angles P-C4'-P energy: -26.222
tors. eta vs tors. theta energy: -58.221
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: 8
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -595.469415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.469415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.469415 (E_RNA)
where:
Base-Base interactions energy: -390.669
where: short stacking energy: -190.540
Base-Backbone interact. energy: -0.104
local terms energy: -204.696198
where:
bonds (distance) C4'-P energy: -42.749
bonds (distance) P-C4' energy: -37.091
flat angles C4'-P-C4' energy: -39.360
flat angles P-C4'-P energy: -25.240
tors. eta vs tors. theta energy: -60.256
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: 4, replica: 9
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -601.409251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.409251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.409251 (E_RNA)
where:
Base-Base interactions energy: -409.734
where: short stacking energy: -182.182
Base-Backbone interact. energy: 1.243
local terms energy: -192.917932
where:
bonds (distance) C4'-P energy: -32.537
bonds (distance) P-C4' energy: -38.146
flat angles C4'-P-C4' energy: -35.354
flat angles P-C4'-P energy: -28.464
tors. eta vs tors. theta energy: -58.417
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: 7
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -558.369264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.369264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.369264 (E_RNA)
where:
Base-Base interactions energy: -369.904
where: short stacking energy: -174.022
Base-Backbone interact. energy: -2.456
local terms energy: -186.009464
where:
bonds (distance) C4'-P energy: -34.419
bonds (distance) P-C4' energy: -35.407
flat angles C4'-P-C4' energy: -36.902
flat angles P-C4'-P energy: -23.387
tors. eta vs tors. theta energy: -55.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -534.451447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.451447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.451447 (E_RNA)
where:
Base-Base interactions energy: -356.066
where: short stacking energy: -148.280
Base-Backbone interact. energy: -0.829
local terms energy: -177.557133
where:
bonds (distance) C4'-P energy: -30.424
bonds (distance) P-C4' energy: -33.385
flat angles C4'-P-C4' energy: -37.413
flat angles P-C4'-P energy: -30.008
tors. eta vs tors. theta energy: -46.327
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: 1
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -272.615598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.615598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.615598 (E_RNA)
where:
Base-Base interactions energy: -110.287
where: short stacking energy: -72.171
Base-Backbone interact. energy: 0.164
local terms energy: -162.492740
where:
bonds (distance) C4'-P energy: -44.102
bonds (distance) P-C4' energy: -42.074
flat angles C4'-P-C4' energy: -41.434
flat angles P-C4'-P energy: -19.405
tors. eta vs tors. theta energy: -15.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -216.218369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.218369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.218369 (E_RNA)
where:
Base-Base interactions energy: -73.202
where: short stacking energy: -50.899
Base-Backbone interact. energy: -0.213
local terms energy: -142.803388
where:
bonds (distance) C4'-P energy: -34.855
bonds (distance) P-C4' energy: -38.691
flat angles C4'-P-C4' energy: -42.373
flat angles P-C4'-P energy: -27.184
tors. eta vs tors. theta energy: 0.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -186.727889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.727889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.727889 (E_RNA)
where:
Base-Base interactions energy: -76.383
where: short stacking energy: -42.273
Base-Backbone interact. energy: 0.184
local terms energy: -110.528923
where:
bonds (distance) C4'-P energy: -36.765
bonds (distance) P-C4' energy: -30.389
flat angles C4'-P-C4' energy: -23.577
flat angles P-C4'-P energy: -20.074
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: 10, replica: 3
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -171.721434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.721434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.721434 (E_RNA)
where:
Base-Base interactions energy: -70.080
where: short stacking energy: -55.382
Base-Backbone interact. energy: -0.616
local terms energy: -101.025726
where:
bonds (distance) C4'-P energy: -26.099
bonds (distance) P-C4' energy: -32.750
flat angles C4'-P-C4' energy: -26.074
flat angles P-C4'-P energy: -16.728
tors. eta vs tors. theta energy: 0.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -686.997413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.997413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.997413 (E_RNA)
where:
Base-Base interactions energy: -462.523
where: short stacking energy: -203.195
Base-Backbone interact. energy: 0.560
local terms energy: -225.034162
where:
bonds (distance) C4'-P energy: -41.755
bonds (distance) P-C4' energy: -43.345
flat angles C4'-P-C4' energy: -48.252
flat angles P-C4'-P energy: -28.480
tors. eta vs tors. theta energy: -63.201
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: 8
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -610.635727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.635727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.635727 (E_RNA)
where:
Base-Base interactions energy: -398.701
where: short stacking energy: -199.194
Base-Backbone interact. energy: -0.013
local terms energy: -211.921634
where:
bonds (distance) C4'-P energy: -38.274
bonds (distance) P-C4' energy: -35.976
flat angles C4'-P-C4' energy: -44.466
flat angles P-C4'-P energy: -27.920
tors. eta vs tors. theta energy: -65.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -597.871867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.871867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.871867 (E_RNA)
where:
Base-Base interactions energy: -389.689
where: short stacking energy: -183.211
Base-Backbone interact. energy: -0.052
local terms energy: -208.131176
where:
bonds (distance) C4'-P energy: -35.153
bonds (distance) P-C4' energy: -36.519
flat angles C4'-P-C4' energy: -43.746
flat angles P-C4'-P energy: -30.671
tors. eta vs tors. theta energy: -62.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -606.945779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.945779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.945779 (E_RNA)
where:
Base-Base interactions energy: -385.269
where: short stacking energy: -189.111
Base-Backbone interact. energy: -0.137
local terms energy: -221.539159
where:
bonds (distance) C4'-P energy: -39.856
bonds (distance) P-C4' energy: -42.263
flat angles C4'-P-C4' energy: -46.714
flat angles P-C4'-P energy: -33.547
tors. eta vs tors. theta energy: -59.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -514.684268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.684268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.684268 (E_RNA)
where:
Base-Base interactions energy: -335.070
where: short stacking energy: -148.829
Base-Backbone interact. energy: -0.026
local terms energy: -179.588427
where:
bonds (distance) C4'-P energy: -36.160
bonds (distance) P-C4' energy: -41.101
flat angles C4'-P-C4' energy: -31.146
flat angles P-C4'-P energy: -27.089
tors. eta vs tors. theta energy: -44.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -549.275765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.275765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.275765 (E_RNA)
where:
Base-Base interactions energy: -355.984
where: short stacking energy: -150.096
Base-Backbone interact. energy: -0.201
local terms energy: -193.090292
where:
bonds (distance) C4'-P energy: -34.588
bonds (distance) P-C4' energy: -36.327
flat angles C4'-P-C4' energy: -41.385
flat angles P-C4'-P energy: -29.082
tors. eta vs tors. theta energy: -51.708
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: 1
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -248.346869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.346869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.346869 (E_RNA)
where:
Base-Base interactions energy: -126.522
where: short stacking energy: -81.164
Base-Backbone interact. energy: 0.313
local terms energy: -122.137158
where:
bonds (distance) C4'-P energy: -36.753
bonds (distance) P-C4' energy: -30.115
flat angles C4'-P-C4' energy: -27.629
flat angles P-C4'-P energy: -17.805
tors. eta vs tors. theta energy: -9.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -199.561412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.561412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.561412 (E_RNA)
where:
Base-Base interactions energy: -81.421
where: short stacking energy: -59.042
Base-Backbone interact. energy: 0.787
local terms energy: -118.926810
where:
bonds (distance) C4'-P energy: -33.913
bonds (distance) P-C4' energy: -37.057
flat angles C4'-P-C4' energy: -36.540
flat angles P-C4'-P energy: -17.623
tors. eta vs tors. theta energy: 6.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -196.718694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.718694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.718694 (E_RNA)
where:
Base-Base interactions energy: -82.505
where: short stacking energy: -66.396
Base-Backbone interact. energy: -0.719
local terms energy: -113.495449
where:
bonds (distance) C4'-P energy: -29.037
bonds (distance) P-C4' energy: -33.634
flat angles C4'-P-C4' energy: -28.032
flat angles P-C4'-P energy: -20.894
tors. eta vs tors. theta energy: -1.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -176.264470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.264470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.264470 (E_RNA)
where:
Base-Base interactions energy: -64.426
where: short stacking energy: -41.516
Base-Backbone interact. energy: 0.181
local terms energy: -112.019078
where:
bonds (distance) C4'-P energy: -27.648
bonds (distance) P-C4' energy: -42.103
flat angles C4'-P-C4' energy: -22.494
flat angles P-C4'-P energy: -22.183
tors. eta vs tors. theta energy: 2.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -658.906086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.906086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.906086 (E_RNA)
where:
Base-Base interactions energy: -454.812
where: short stacking energy: -192.056
Base-Backbone interact. energy: 0.817
local terms energy: -204.911071
where:
bonds (distance) C4'-P energy: -34.232
bonds (distance) P-C4' energy: -37.282
flat angles C4'-P-C4' energy: -42.160
flat angles P-C4'-P energy: -32.442
tors. eta vs tors. theta energy: -58.795
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: 8
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -618.642291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.642291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.642291 (E_RNA)
where:
Base-Base interactions energy: -403.831
where: short stacking energy: -193.549
Base-Backbone interact. energy: -0.183
local terms energy: -214.628062
where:
bonds (distance) C4'-P energy: -36.848
bonds (distance) P-C4' energy: -41.801
flat angles C4'-P-C4' energy: -41.573
flat angles P-C4'-P energy: -30.448
tors. eta vs tors. theta energy: -63.958
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: 3, replica: 9
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -605.552253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.552253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.552253 (E_RNA)
where:
Base-Base interactions energy: -414.483
where: short stacking energy: -172.938
Base-Backbone interact. energy: -0.884
local terms energy: -190.184776
where:
bonds (distance) C4'-P energy: -34.651
bonds (distance) P-C4' energy: -38.216
flat angles C4'-P-C4' energy: -40.261
flat angles P-C4'-P energy: -27.954
tors. eta vs tors. theta energy: -49.101
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: 6
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -596.832290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.832290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.832290 (E_RNA)
where:
Base-Base interactions energy: -389.634
where: short stacking energy: -184.721
Base-Backbone interact. energy: 0.357
local terms energy: -207.554897
where:
bonds (distance) C4'-P energy: -37.136
bonds (distance) P-C4' energy: -38.420
flat angles C4'-P-C4' energy: -45.532
flat angles P-C4'-P energy: -30.212
tors. eta vs tors. theta energy: -56.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -547.696542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.696542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.696542 (E_RNA)
where:
Base-Base interactions energy: -345.770
where: short stacking energy: -157.760
Base-Backbone interact. energy: -0.415
local terms energy: -201.510907
where:
bonds (distance) C4'-P energy: -33.624
bonds (distance) P-C4' energy: -40.043
flat angles C4'-P-C4' energy: -44.048
flat angles P-C4'-P energy: -28.077
tors. eta vs tors. theta energy: -55.719
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: 234
Temperature: 1.150000
Total energy: -540.834915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.834915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.834915 (E_RNA)
where:
Base-Base interactions energy: -357.629
where: short stacking energy: -159.102
Base-Backbone interact. energy: -0.215
local terms energy: -182.990849
where:
bonds (distance) C4'-P energy: -36.660
bonds (distance) P-C4' energy: -25.359
flat angles C4'-P-C4' energy: -39.487
flat angles P-C4'-P energy: -23.417
tors. eta vs tors. theta energy: -58.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -263.065445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.065445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.065445 (E_RNA)
where:
Base-Base interactions energy: -123.136
where: short stacking energy: -69.052
Base-Backbone interact. energy: -1.042
local terms energy: -138.888082
where:
bonds (distance) C4'-P energy: -37.741
bonds (distance) P-C4' energy: -32.334
flat angles C4'-P-C4' energy: -33.155
flat angles P-C4'-P energy: -23.508
tors. eta vs tors. theta energy: -12.150
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: 5
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -218.041817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.041817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.041817 (E_RNA)
where:
Base-Base interactions energy: -84.781
where: short stacking energy: -57.189
Base-Backbone interact. energy: -0.257
local terms energy: -133.003405
where:
bonds (distance) C4'-P energy: -35.811
bonds (distance) P-C4' energy: -40.251
flat angles C4'-P-C4' energy: -31.214
flat angles P-C4'-P energy: -22.888
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: 9, replica: 10
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -186.859955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.859955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.859955 (E_RNA)
where:
Base-Base interactions energy: -80.354
where: short stacking energy: -38.681
Base-Backbone interact. energy: -0.326
local terms energy: -106.179946
where:
bonds (distance) C4'-P energy: -36.498
bonds (distance) P-C4' energy: -33.915
flat angles C4'-P-C4' energy: -25.867
flat angles P-C4'-P energy: -13.284
tors. eta vs tors. theta energy: 3.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -171.969494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.969494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.969494 (E_RNA)
where:
Base-Base interactions energy: -49.870
where: short stacking energy: -32.127
Base-Backbone interact. energy: 2.920
local terms energy: -125.019709
where:
bonds (distance) C4'-P energy: -31.872
bonds (distance) P-C4' energy: -41.756
flat angles C4'-P-C4' energy: -32.738
flat angles P-C4'-P energy: -27.123
tors. eta vs tors. theta energy: 8.470
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: 4
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -676.054273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.054273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.054273 (E_RNA)
where:
Base-Base interactions energy: -461.226
where: short stacking energy: -203.959
Base-Backbone interact. energy: -0.242
local terms energy: -214.585700
where:
bonds (distance) C4'-P energy: -44.928
bonds (distance) P-C4' energy: -39.010
flat angles C4'-P-C4' energy: -45.345
flat angles P-C4'-P energy: -29.911
tors. eta vs tors. theta energy: -55.392
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: 9
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -622.300301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.300301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.300301 (E_RNA)
where:
Base-Base interactions energy: -409.168
where: short stacking energy: -194.096
Base-Backbone interact. energy: -1.044
local terms energy: -212.088123
where:
bonds (distance) C4'-P energy: -40.535
bonds (distance) P-C4' energy: -43.830
flat angles C4'-P-C4' energy: -41.599
flat angles P-C4'-P energy: -32.451
tors. eta vs tors. theta energy: -53.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -621.116318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.116318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.116318 (E_RNA)
where:
Base-Base interactions energy: -398.967
where: short stacking energy: -200.550
Base-Backbone interact. energy: -0.021
local terms energy: -222.127468
where:
bonds (distance) C4'-P energy: -41.446
bonds (distance) P-C4' energy: -35.846
flat angles C4'-P-C4' energy: -49.835
flat angles P-C4'-P energy: -30.906
tors. eta vs tors. theta energy: -64.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -615.145887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.145887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.145887 (E_RNA)
where:
Base-Base interactions energy: -414.942
where: short stacking energy: -194.595
Base-Backbone interact. energy: -0.599
local terms energy: -199.605032
where:
bonds (distance) C4'-P energy: -43.768
bonds (distance) P-C4' energy: -37.507
flat angles C4'-P-C4' energy: -43.830
flat angles P-C4'-P energy: -22.954
tors. eta vs tors. theta energy: -51.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -546.374660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.374660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.374660 (E_RNA)
where:
Base-Base interactions energy: -347.556
where: short stacking energy: -160.678
Base-Backbone interact. energy: -0.805
local terms energy: -198.014060
where:
bonds (distance) C4'-P energy: -32.951
bonds (distance) P-C4' energy: -38.118
flat angles C4'-P-C4' energy: -44.277
flat angles P-C4'-P energy: -34.603
tors. eta vs tors. theta energy: -48.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -553.442836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.442836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.442836 (E_RNA)
where:
Base-Base interactions energy: -360.317
where: short stacking energy: -159.509
Base-Backbone interact. energy: 0.381
local terms energy: -193.506536
where:
bonds (distance) C4'-P energy: -44.946
bonds (distance) P-C4' energy: -38.467
flat angles C4'-P-C4' energy: -37.712
flat angles P-C4'-P energy: -27.313
tors. eta vs tors. theta energy: -45.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -277.727672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.727672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.727672 (E_RNA)
where:
Base-Base interactions energy: -128.501
where: short stacking energy: -102.662
Base-Backbone interact. energy: -0.437
local terms energy: -148.789781
where:
bonds (distance) C4'-P energy: -31.807
bonds (distance) P-C4' energy: -37.458
flat angles C4'-P-C4' energy: -34.023
flat angles P-C4'-P energy: -26.984
tors. eta vs tors. theta energy: -18.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -224.262150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.262150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.262150 (E_RNA)
where:
Base-Base interactions energy: -108.843
where: short stacking energy: -61.297
Base-Backbone interact. energy: -0.075
local terms energy: -115.344240
where:
bonds (distance) C4'-P energy: -28.350
bonds (distance) P-C4' energy: -30.401
flat angles C4'-P-C4' energy: -33.877
flat angles P-C4'-P energy: -13.589
tors. eta vs tors. theta energy: -9.127
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: 9, replica: 10
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -244.689695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.689695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.689695 (E_RNA)
where:
Base-Base interactions energy: -107.396
where: short stacking energy: -80.778
Base-Backbone interact. energy: -0.486
local terms energy: -136.807055
where:
bonds (distance) C4'-P energy: -32.153
bonds (distance) P-C4' energy: -39.598
flat angles C4'-P-C4' energy: -35.624
flat angles P-C4'-P energy: -23.812
tors. eta vs tors. theta energy: -5.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -175.615448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.615448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.615448 (E_RNA)
where:
Base-Base interactions energy: -69.370
where: short stacking energy: -47.496
Base-Backbone interact. energy: 0.626
local terms energy: -106.872137
where:
bonds (distance) C4'-P energy: -38.075
bonds (distance) P-C4' energy: -30.358
flat angles C4'-P-C4' energy: -20.984
flat angles P-C4'-P energy: -19.362
tors. eta vs tors. theta energy: 1.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -686.221852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.221852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.221852 (E_RNA)
where:
Base-Base interactions energy: -472.864
where: short stacking energy: -224.912
Base-Backbone interact. energy: -1.143
local terms energy: -212.214409
where:
bonds (distance) C4'-P energy: -32.379
bonds (distance) P-C4' energy: -36.351
flat angles C4'-P-C4' energy: -46.905
flat angles P-C4'-P energy: -29.110
tors. eta vs tors. theta energy: -67.470
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: 2, replica: 9
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -627.674125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.674125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.674125 (E_RNA)
where:
Base-Base interactions energy: -415.775
where: short stacking energy: -203.914
Base-Backbone interact. energy: 0.482
local terms energy: -212.381344
where:
bonds (distance) C4'-P energy: -43.374
bonds (distance) P-C4' energy: -34.416
flat angles C4'-P-C4' energy: -45.054
flat angles P-C4'-P energy: -27.273
tors. eta vs tors. theta energy: -62.264
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: 8
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -604.025166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.025166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.025166 (E_RNA)
where:
Base-Base interactions energy: -389.461
where: short stacking energy: -190.798
Base-Backbone interact. energy: -0.025
local terms energy: -214.539774
where:
bonds (distance) C4'-P energy: -44.208
bonds (distance) P-C4' energy: -41.442
flat angles C4'-P-C4' energy: -42.491
flat angles P-C4'-P energy: -25.339
tors. eta vs tors. theta energy: -61.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -562.759175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.759175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.759175 (E_RNA)
where:
Base-Base interactions energy: -367.808
where: short stacking energy: -168.859
Base-Backbone interact. energy: -0.687
local terms energy: -194.264796
where:
bonds (distance) C4'-P energy: -40.431
bonds (distance) P-C4' energy: -44.814
flat angles C4'-P-C4' energy: -38.613
flat angles P-C4'-P energy: -23.936
tors. eta vs tors. theta energy: -46.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -557.941386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.941386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.941386 (E_RNA)
where:
Base-Base interactions energy: -379.027
where: short stacking energy: -166.769
Base-Backbone interact. energy: -0.832
local terms energy: -178.082495
where:
bonds (distance) C4'-P energy: -34.686
bonds (distance) P-C4' energy: -31.342
flat angles C4'-P-C4' energy: -37.164
flat angles P-C4'-P energy: -29.434
tors. eta vs tors. theta energy: -45.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -526.729813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.729813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.729813 (E_RNA)
where:
Base-Base interactions energy: -354.876
where: short stacking energy: -172.633
Base-Backbone interact. energy: -0.152
local terms energy: -171.701987
where:
bonds (distance) C4'-P energy: -31.357
bonds (distance) P-C4' energy: -32.445
flat angles C4'-P-C4' energy: -34.040
flat angles P-C4'-P energy: -28.852
tors. eta vs tors. theta energy: -45.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -208.265098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.265098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.265098 (E_RNA)
where:
Base-Base interactions energy: -65.622
where: short stacking energy: -57.957
Base-Backbone interact. energy: -0.499
local terms energy: -142.143752
where:
bonds (distance) C4'-P energy: -33.958
bonds (distance) P-C4' energy: -37.839
flat angles C4'-P-C4' energy: -25.501
flat angles P-C4'-P energy: -31.410
tors. eta vs tors. theta energy: -13.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -212.138817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.138817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.138817 (E_RNA)
where:
Base-Base interactions energy: -74.114
where: short stacking energy: -44.520
Base-Backbone interact. energy: 1.638
local terms energy: -139.662560
where:
bonds (distance) C4'-P energy: -36.693
bonds (distance) P-C4' energy: -47.441
flat angles C4'-P-C4' energy: -34.835
flat angles P-C4'-P energy: -21.829
tors. eta vs tors. theta energy: 1.135
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: 3
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -172.493856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.493856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.493856 (E_RNA)
where:
Base-Base interactions energy: -64.955
where: short stacking energy: -37.658
Base-Backbone interact. energy: -0.272
local terms energy: -107.266169
where:
bonds (distance) C4'-P energy: -26.184
bonds (distance) P-C4' energy: -41.868
flat angles C4'-P-C4' energy: -25.097
flat angles P-C4'-P energy: -13.894
tors. eta vs tors. theta energy: -0.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -183.632196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.632196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.632196 (E_RNA)
where:
Base-Base interactions energy: -76.487
where: short stacking energy: -41.254
Base-Backbone interact. energy: -0.274
local terms energy: -106.871205
where:
bonds (distance) C4'-P energy: -32.829
bonds (distance) P-C4' energy: -27.904
flat angles C4'-P-C4' energy: -21.853
flat angles P-C4'-P energy: -26.871
tors. eta vs tors. theta energy: 2.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -677.649515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.649515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.649515 (E_RNA)
where:
Base-Base interactions energy: -450.919
where: short stacking energy: -212.726
Base-Backbone interact. energy: -0.391
local terms energy: -226.339446
where:
bonds (distance) C4'-P energy: -39.826
bonds (distance) P-C4' energy: -41.959
flat angles C4'-P-C4' energy: -49.851
flat angles P-C4'-P energy: -29.672
tors. eta vs tors. theta energy: -65.032
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: 9
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -598.372088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.372088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.372088 (E_RNA)
where:
Base-Base interactions energy: -381.137
where: short stacking energy: -185.729
Base-Backbone interact. energy: -1.264
local terms energy: -215.971159
where:
bonds (distance) C4'-P energy: -36.768
bonds (distance) P-C4' energy: -38.019
flat angles C4'-P-C4' energy: -48.345
flat angles P-C4'-P energy: -32.268
tors. eta vs tors. theta energy: -60.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -586.007539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.007539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.007539 (E_RNA)
where:
Base-Base interactions energy: -376.519
where: short stacking energy: -188.350
Base-Backbone interact. energy: -0.615
local terms energy: -208.873603
where:
bonds (distance) C4'-P energy: -38.659
bonds (distance) P-C4' energy: -35.969
flat angles C4'-P-C4' energy: -45.857
flat angles P-C4'-P energy: -28.624
tors. eta vs tors. theta energy: -59.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -602.331075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.331075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.331075 (E_RNA)
where:
Base-Base interactions energy: -410.174
where: short stacking energy: -178.517
Base-Backbone interact. energy: -0.059
local terms energy: -192.098055
where:
bonds (distance) C4'-P energy: -39.460
bonds (distance) P-C4' energy: -33.466
flat angles C4'-P-C4' energy: -40.739
flat angles P-C4'-P energy: -26.895
tors. eta vs tors. theta energy: -51.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -545.134386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.134386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.134386 (E_RNA)
where:
Base-Base interactions energy: -363.216
where: short stacking energy: -160.334
Base-Backbone interact. energy: -0.641
local terms energy: -181.277398
where:
bonds (distance) C4'-P energy: -38.469
bonds (distance) P-C4' energy: -28.683
flat angles C4'-P-C4' energy: -33.466
flat angles P-C4'-P energy: -31.909
tors. eta vs tors. theta energy: -48.750
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: 7
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -539.792838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.792838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.792838 (E_RNA)
where:
Base-Base interactions energy: -345.885
where: short stacking energy: -163.417
Base-Backbone interact. energy: 0.453
local terms energy: -194.360637
where:
bonds (distance) C4'-P energy: -40.840
bonds (distance) P-C4' energy: -32.724
flat angles C4'-P-C4' energy: -40.413
flat angles P-C4'-P energy: -26.499
tors. eta vs tors. theta energy: -53.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -205.918311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.918311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.918311 (E_RNA)
where:
Base-Base interactions energy: -78.784
where: short stacking energy: -60.421
Base-Backbone interact. energy: 0.478
local terms energy: -127.611489
where:
bonds (distance) C4'-P energy: -40.581
bonds (distance) P-C4' energy: -32.671
flat angles C4'-P-C4' energy: -28.590
flat angles P-C4'-P energy: -24.276
tors. eta vs tors. theta energy: -1.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -196.922394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.922394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.922394 (E_RNA)
where:
Base-Base interactions energy: -65.679
where: short stacking energy: -48.141
Base-Backbone interact. energy: 0.065
local terms energy: -131.307864
where:
bonds (distance) C4'-P energy: -39.653
bonds (distance) P-C4' energy: -40.984
flat angles C4'-P-C4' energy: -38.398
flat angles P-C4'-P energy: -11.067
tors. eta vs tors. theta energy: -1.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -174.402711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.402711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.402711 (E_RNA)
where:
Base-Base interactions energy: -47.598
where: short stacking energy: -36.448
Base-Backbone interact. energy: -0.770
local terms energy: -126.034347
where:
bonds (distance) C4'-P energy: -42.927
bonds (distance) P-C4' energy: -35.400
flat angles C4'-P-C4' energy: -30.563
flat angles P-C4'-P energy: -23.359
tors. eta vs tors. theta energy: 6.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -160.794234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.794234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.794234 (E_RNA)
where:
Base-Base interactions energy: -38.375
where: short stacking energy: -29.848
Base-Backbone interact. energy: 0.823
local terms energy: -123.242159
where:
bonds (distance) C4'-P energy: -30.083
bonds (distance) P-C4' energy: -44.915
flat angles C4'-P-C4' energy: -28.119
flat angles P-C4'-P energy: -31.347
tors. eta vs tors. theta energy: 11.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -689.156194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.156194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.156194 (E_RNA)
where:
Base-Base interactions energy: -462.976
where: short stacking energy: -216.460
Base-Backbone interact. energy: 0.085
local terms energy: -226.264896
where:
bonds (distance) C4'-P energy: -38.014
bonds (distance) P-C4' energy: -40.101
flat angles C4'-P-C4' energy: -46.648
flat angles P-C4'-P energy: -32.583
tors. eta vs tors. theta energy: -68.919
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: 9
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -622.833530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.833530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.833530 (E_RNA)
where:
Base-Base interactions energy: -400.794
where: short stacking energy: -193.668
Base-Backbone interact. energy: -0.415
local terms energy: -221.624708
where:
bonds (distance) C4'-P energy: -43.218
bonds (distance) P-C4' energy: -39.802
flat angles C4'-P-C4' energy: -45.748
flat angles P-C4'-P energy: -32.055
tors. eta vs tors. theta energy: -60.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -592.032827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.032827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.032827 (E_RNA)
where:
Base-Base interactions energy: -385.438
where: short stacking energy: -177.397
Base-Backbone interact. energy: -0.436
local terms energy: -206.159302
where:
bonds (distance) C4'-P energy: -35.437
bonds (distance) P-C4' energy: -37.739
flat angles C4'-P-C4' energy: -45.110
flat angles P-C4'-P energy: -33.372
tors. eta vs tors. theta energy: -54.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -597.317954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.317954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.317954 (E_RNA)
where:
Base-Base interactions energy: -400.248
where: short stacking energy: -190.773
Base-Backbone interact. energy: 0.563
local terms energy: -197.632840
where:
bonds (distance) C4'-P energy: -34.808
bonds (distance) P-C4' energy: -28.663
flat angles C4'-P-C4' energy: -43.163
flat angles P-C4'-P energy: -27.518
tors. eta vs tors. theta energy: -63.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -550.664503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.664503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.664503 (E_RNA)
where:
Base-Base interactions energy: -370.744
where: short stacking energy: -164.713
Base-Backbone interact. energy: -0.287
local terms energy: -179.633196
where:
bonds (distance) C4'-P energy: -28.067
bonds (distance) P-C4' energy: -34.284
flat angles C4'-P-C4' energy: -44.135
flat angles P-C4'-P energy: -24.688
tors. eta vs tors. theta energy: -48.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -569.728881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.728881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.728881 (E_RNA)
where:
Base-Base interactions energy: -358.155
where: short stacking energy: -162.569
Base-Backbone interact. energy: -0.925
local terms energy: -210.648613
where:
bonds (distance) C4'-P energy: -43.246
bonds (distance) P-C4' energy: -35.707
flat angles C4'-P-C4' energy: -39.733
flat angles P-C4'-P energy: -33.765
tors. eta vs tors. theta energy: -58.199
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: 238
Temperature: 1.200000
Total energy: -267.986755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.986755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.986755 (E_RNA)
where:
Base-Base interactions energy: -140.767
where: short stacking energy: -86.391
Base-Backbone interact. energy: 0.129
local terms energy: -127.348450
where:
bonds (distance) C4'-P energy: -28.459
bonds (distance) P-C4' energy: -38.820
flat angles C4'-P-C4' energy: -30.688
flat angles P-C4'-P energy: -21.256
tors. eta vs tors. theta energy: -8.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -191.388952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.388952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.388952 (E_RNA)
where:
Base-Base interactions energy: -72.399
where: short stacking energy: -38.979
Base-Backbone interact. energy: -1.028
local terms energy: -117.962642
where:
bonds (distance) C4'-P energy: -31.074
bonds (distance) P-C4' energy: -43.908
flat angles C4'-P-C4' energy: -32.634
flat angles P-C4'-P energy: -10.695
tors. eta vs tors. theta energy: 0.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -172.128429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.128429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.128429 (E_RNA)
where:
Base-Base interactions energy: -62.432
where: short stacking energy: -38.555
Base-Backbone interact. energy: -0.055
local terms energy: -109.641563
where:
bonds (distance) C4'-P energy: -38.215
bonds (distance) P-C4' energy: -36.995
flat angles C4'-P-C4' energy: -27.695
flat angles P-C4'-P energy: -12.100
tors. eta vs tors. theta energy: 5.363
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: 238
Temperature: 1.350000
Total energy: -187.618121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.618121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.618121 (E_RNA)
where:
Base-Base interactions energy: -65.298
where: short stacking energy: -45.192
Base-Backbone interact. energy: -1.181
local terms energy: -121.139452
where:
bonds (distance) C4'-P energy: -39.437
bonds (distance) P-C4' energy: -29.118
flat angles C4'-P-C4' energy: -29.948
flat angles P-C4'-P energy: -19.687
tors. eta vs tors. theta energy: -2.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -685.223029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.223029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.223029 (E_RNA)
where:
Base-Base interactions energy: -473.853
where: short stacking energy: -202.692
Base-Backbone interact. energy: 1.273
local terms energy: -212.642908
where:
bonds (distance) C4'-P energy: -39.089
bonds (distance) P-C4' energy: -35.951
flat angles C4'-P-C4' energy: -44.696
flat angles P-C4'-P energy: -28.826
tors. eta vs tors. theta energy: -64.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -622.753942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.753942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.753942 (E_RNA)
where:
Base-Base interactions energy: -414.622
where: short stacking energy: -200.789
Base-Backbone interact. energy: -0.211
local terms energy: -207.921305
where:
bonds (distance) C4'-P energy: -39.139
bonds (distance) P-C4' energy: -36.819
flat angles C4'-P-C4' energy: -41.387
flat angles P-C4'-P energy: -33.808
tors. eta vs tors. theta energy: -56.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -598.164399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.164399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.164399 (E_RNA)
where:
Base-Base interactions energy: -402.515
where: short stacking energy: -190.696
Base-Backbone interact. energy: -0.430
local terms energy: -195.219245
where:
bonds (distance) C4'-P energy: -31.336
bonds (distance) P-C4' energy: -31.643
flat angles C4'-P-C4' energy: -47.467
flat angles P-C4'-P energy: -27.003
tors. eta vs tors. theta energy: -57.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -606.546402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.546402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.546402 (E_RNA)
where:
Base-Base interactions energy: -400.737
where: short stacking energy: -173.580
Base-Backbone interact. energy: -0.596
local terms energy: -205.213658
where:
bonds (distance) C4'-P energy: -41.101
bonds (distance) P-C4' energy: -38.011
flat angles C4'-P-C4' energy: -41.503
flat angles P-C4'-P energy: -31.998
tors. eta vs tors. theta energy: -52.600
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: 6
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -562.658133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.658133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.658133 (E_RNA)
where:
Base-Base interactions energy: -373.360
where: short stacking energy: -155.000
Base-Backbone interact. energy: -0.996
local terms energy: -188.302043
where:
bonds (distance) C4'-P energy: -43.888
bonds (distance) P-C4' energy: -34.750
flat angles C4'-P-C4' energy: -43.341
flat angles P-C4'-P energy: -23.638
tors. eta vs tors. theta energy: -42.686
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: 7
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -539.742528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.742528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.742528 (E_RNA)
where:
Base-Base interactions energy: -360.314
where: short stacking energy: -175.651
Base-Backbone interact. energy: 1.629
local terms energy: -181.057253
where:
bonds (distance) C4'-P energy: -30.565
bonds (distance) P-C4' energy: -34.880
flat angles C4'-P-C4' energy: -40.223
flat angles P-C4'-P energy: -25.001
tors. eta vs tors. theta energy: -50.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -250.146985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.146985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.146985 (E_RNA)
where:
Base-Base interactions energy: -120.945
where: short stacking energy: -66.344
Base-Backbone interact. energy: -0.830
local terms energy: -128.372165
where:
bonds (distance) C4'-P energy: -33.969
bonds (distance) P-C4' energy: -34.034
flat angles C4'-P-C4' energy: -34.525
flat angles P-C4'-P energy: -25.875
tors. eta vs tors. theta energy: 0.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -202.090133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.090133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.090133 (E_RNA)
where:
Base-Base interactions energy: -68.450
where: short stacking energy: -66.541
Base-Backbone interact. energy: 3.404
local terms energy: -137.044305
where:
bonds (distance) C4'-P energy: -28.874
bonds (distance) P-C4' energy: -45.789
flat angles C4'-P-C4' energy: -35.650
flat angles P-C4'-P energy: -19.559
tors. eta vs tors. theta energy: -7.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -177.378381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.378381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.378381 (E_RNA)
where:
Base-Base interactions energy: -66.856
where: short stacking energy: -61.380
Base-Backbone interact. energy: -0.701
local terms energy: -109.821044
where:
bonds (distance) C4'-P energy: -31.914
bonds (distance) P-C4' energy: -35.323
flat angles C4'-P-C4' energy: -28.018
flat angles P-C4'-P energy: -15.816
tors. eta vs tors. theta energy: 1.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -176.014884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.014884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.014884 (E_RNA)
where:
Base-Base interactions energy: -55.130
where: short stacking energy: -37.980
Base-Backbone interact. energy: 1.269
local terms energy: -122.153780
where:
bonds (distance) C4'-P energy: -35.250
bonds (distance) P-C4' energy: -39.091
flat angles C4'-P-C4' energy: -24.181
flat angles P-C4'-P energy: -17.878
tors. eta vs tors. theta energy: -5.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -672.207015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.207015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.207015 (E_RNA)
where:
Base-Base interactions energy: -446.318
where: short stacking energy: -201.912
Base-Backbone interact. energy: 0.429
local terms energy: -226.317075
where:
bonds (distance) C4'-P energy: -42.898
bonds (distance) P-C4' energy: -43.299
flat angles C4'-P-C4' energy: -47.411
flat angles P-C4'-P energy: -31.892
tors. eta vs tors. theta energy: -60.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -603.265218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.265218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.265218 (E_RNA)
where:
Base-Base interactions energy: -385.826
where: short stacking energy: -186.292
Base-Backbone interact. energy: 0.255
local terms energy: -217.693930
where:
bonds (distance) C4'-P energy: -41.004
bonds (distance) P-C4' energy: -41.572
flat angles C4'-P-C4' energy: -45.759
flat angles P-C4'-P energy: -31.566
tors. eta vs tors. theta energy: -57.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -599.865979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.865979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.865979 (E_RNA)
where:
Base-Base interactions energy: -393.802
where: short stacking energy: -183.836
Base-Backbone interact. energy: -0.607
local terms energy: -205.456602
where:
bonds (distance) C4'-P energy: -33.525
bonds (distance) P-C4' energy: -41.713
flat angles C4'-P-C4' energy: -40.104
flat angles P-C4'-P energy: -29.558
tors. eta vs tors. theta energy: -60.556
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: 4, replica: 2
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -605.795573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.795573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.795573 (E_RNA)
where:
Base-Base interactions energy: -398.650
where: short stacking energy: -186.796
Base-Backbone interact. energy: -1.525
local terms energy: -205.620475
where:
bonds (distance) C4'-P energy: -32.357
bonds (distance) P-C4' energy: -37.913
flat angles C4'-P-C4' energy: -45.517
flat angles P-C4'-P energy: -30.486
tors. eta vs tors. theta energy: -59.348
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: 6
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -569.862593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.862593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.862593 (E_RNA)
where:
Base-Base interactions energy: -382.508
where: short stacking energy: -154.692
Base-Backbone interact. energy: 0.271
local terms energy: -187.625614
where:
bonds (distance) C4'-P energy: -36.006
bonds (distance) P-C4' energy: -39.854
flat angles C4'-P-C4' energy: -37.399
flat angles P-C4'-P energy: -25.613
tors. eta vs tors. theta energy: -48.754
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: 7
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -511.883630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.883630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.883630 (E_RNA)
where:
Base-Base interactions energy: -336.165
where: short stacking energy: -158.270
Base-Backbone interact. energy: 2.400
local terms energy: -178.118417
where:
bonds (distance) C4'-P energy: -39.065
bonds (distance) P-C4' energy: -31.252
flat angles C4'-P-C4' energy: -34.378
flat angles P-C4'-P energy: -27.365
tors. eta vs tors. theta energy: -46.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -272.124223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.124223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.124223 (E_RNA)
where:
Base-Base interactions energy: -153.764
where: short stacking energy: -78.074
Base-Backbone interact. energy: 0.454
local terms energy: -118.814655
where:
bonds (distance) C4'-P energy: -34.095
bonds (distance) P-C4' energy: -32.702
flat angles C4'-P-C4' energy: -27.578
flat angles P-C4'-P energy: -15.382
tors. eta vs tors. theta energy: -9.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -199.078562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.078562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.078562 (E_RNA)
where:
Base-Base interactions energy: -76.824
where: short stacking energy: -68.532
Base-Backbone interact. energy: 0.154
local terms energy: -122.408998
where:
bonds (distance) C4'-P energy: -35.716
bonds (distance) P-C4' energy: -32.696
flat angles C4'-P-C4' energy: -26.879
flat angles P-C4'-P energy: -17.746
tors. eta vs tors. theta energy: -9.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -187.887484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.887484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.887484 (E_RNA)
where:
Base-Base interactions energy: -62.143
where: short stacking energy: -58.464
Base-Backbone interact. energy: 1.975
local terms energy: -127.719580
where:
bonds (distance) C4'-P energy: -34.788
bonds (distance) P-C4' energy: -34.825
flat angles C4'-P-C4' energy: -26.239
flat angles P-C4'-P energy: -22.181
tors. eta vs tors. theta energy: -9.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -193.500720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.500720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.500720 (E_RNA)
where:
Base-Base interactions energy: -79.686
where: short stacking energy: -55.688
Base-Backbone interact. energy: -0.344
local terms energy: -113.470816
where:
bonds (distance) C4'-P energy: -34.858
bonds (distance) P-C4' energy: -38.216
flat angles C4'-P-C4' energy: -22.194
flat angles P-C4'-P energy: -19.203
tors. eta vs tors. theta energy: 1.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -672.650938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.650938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.650938 (E_RNA)
where:
Base-Base interactions energy: -441.895
where: short stacking energy: -205.035
Base-Backbone interact. energy: -0.651
local terms energy: -230.105303
where:
bonds (distance) C4'-P energy: -44.140
bonds (distance) P-C4' energy: -43.530
flat angles C4'-P-C4' energy: -45.988
flat angles P-C4'-P energy: -33.820
tors. eta vs tors. theta energy: -62.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -618.911084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.911084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.911084 (E_RNA)
where:
Base-Base interactions energy: -391.829
where: short stacking energy: -193.433
Base-Backbone interact. energy: -0.061
local terms energy: -227.021221
where:
bonds (distance) C4'-P energy: -43.331
bonds (distance) P-C4' energy: -44.609
flat angles C4'-P-C4' energy: -48.731
flat angles P-C4'-P energy: -32.489
tors. eta vs tors. theta energy: -57.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -600.123749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.123749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.123749 (E_RNA)
where:
Base-Base interactions energy: -387.105
where: short stacking energy: -187.338
Base-Backbone interact. energy: -0.033
local terms energy: -212.986253
where:
bonds (distance) C4'-P energy: -39.579
bonds (distance) P-C4' energy: -40.129
flat angles C4'-P-C4' energy: -42.546
flat angles P-C4'-P energy: -29.858
tors. eta vs tors. theta energy: -60.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -601.835462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.835462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.835462 (E_RNA)
where:
Base-Base interactions energy: -400.831
where: short stacking energy: -179.060
Base-Backbone interact. energy: -1.058
local terms energy: -199.946793
where:
bonds (distance) C4'-P energy: -37.623
bonds (distance) P-C4' energy: -33.989
flat angles C4'-P-C4' energy: -44.931
flat angles P-C4'-P energy: -28.349
tors. eta vs tors. theta energy: -55.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -564.397399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.397399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.397399 (E_RNA)
where:
Base-Base interactions energy: -378.694
where: short stacking energy: -171.705
Base-Backbone interact. energy: -0.516
local terms energy: -185.187690
where:
bonds (distance) C4'-P energy: -36.912
bonds (distance) P-C4' energy: -35.462
flat angles C4'-P-C4' energy: -36.145
flat angles P-C4'-P energy: -22.410
tors. eta vs tors. theta energy: -54.259
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: 7
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -513.611066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.611066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.611066 (E_RNA)
where:
Base-Base interactions energy: -337.126
where: short stacking energy: -154.715
Base-Backbone interact. energy: -0.771
local terms energy: -175.713594
where:
bonds (distance) C4'-P energy: -36.773
bonds (distance) P-C4' energy: -34.900
flat angles C4'-P-C4' energy: -40.767
flat angles P-C4'-P energy: -26.016
tors. eta vs tors. theta energy: -37.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -307.297149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.297149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.297149 (E_RNA)
where:
Base-Base interactions energy: -155.219
where: short stacking energy: -89.369
Base-Backbone interact. energy: 0.228
local terms energy: -152.305948
where:
bonds (distance) C4'-P energy: -34.386
bonds (distance) P-C4' energy: -31.145
flat angles C4'-P-C4' energy: -42.660
flat angles P-C4'-P energy: -22.870
tors. eta vs tors. theta energy: -21.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -205.606543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.606543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.606543 (E_RNA)
where:
Base-Base interactions energy: -64.082
where: short stacking energy: -56.095
Base-Backbone interact. energy: 2.042
local terms energy: -143.566408
where:
bonds (distance) C4'-P energy: -32.357
bonds (distance) P-C4' energy: -43.945
flat angles C4'-P-C4' energy: -25.385
flat angles P-C4'-P energy: -30.415
tors. eta vs tors. theta energy: -11.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -178.210324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.210324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.210324 (E_RNA)
where:
Base-Base interactions energy: -70.333
where: short stacking energy: -61.448
Base-Backbone interact. energy: -1.006
local terms energy: -106.871465
where:
bonds (distance) C4'-P energy: -26.902
bonds (distance) P-C4' energy: -42.868
flat angles C4'-P-C4' energy: -26.585
flat angles P-C4'-P energy: -15.004
tors. eta vs tors. theta energy: 4.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -165.060510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.060510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.060510 (E_RNA)
where:
Base-Base interactions energy: -50.582
where: short stacking energy: -43.151
Base-Backbone interact. energy: 3.629
local terms energy: -118.107345
where:
bonds (distance) C4'-P energy: -38.655
bonds (distance) P-C4' energy: -31.025
flat angles C4'-P-C4' energy: -32.634
flat angles P-C4'-P energy: -21.734
tors. eta vs tors. theta energy: 5.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -673.622533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.622533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.622533 (E_RNA)
where:
Base-Base interactions energy: -444.423
where: short stacking energy: -203.394
Base-Backbone interact. energy: -0.301
local terms energy: -228.898102
where:
bonds (distance) C4'-P energy: -45.308
bonds (distance) P-C4' energy: -40.790
flat angles C4'-P-C4' energy: -43.711
flat angles P-C4'-P energy: -33.775
tors. eta vs tors. theta energy: -65.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -607.028936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.028936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.028936 (E_RNA)
where:
Base-Base interactions energy: -395.285
where: short stacking energy: -191.284
Base-Backbone interact. energy: -0.494
local terms energy: -211.250197
where:
bonds (distance) C4'-P energy: -41.222
bonds (distance) P-C4' energy: -42.552
flat angles C4'-P-C4' energy: -43.801
flat angles P-C4'-P energy: -30.006
tors. eta vs tors. theta energy: -53.670
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: 9
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -614.138960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.138960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.138960 (E_RNA)
where:
Base-Base interactions energy: -394.911
where: short stacking energy: -199.291
Base-Backbone interact. energy: -0.022
local terms energy: -219.205212
where:
bonds (distance) C4'-P energy: -36.851
bonds (distance) P-C4' energy: -41.245
flat angles C4'-P-C4' energy: -47.471
flat angles P-C4'-P energy: -30.226
tors. eta vs tors. theta energy: -63.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -593.554052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.554052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.554052 (E_RNA)
where:
Base-Base interactions energy: -401.733
where: short stacking energy: -180.338
Base-Backbone interact. energy: 0.584
local terms energy: -192.405124
where:
bonds (distance) C4'-P energy: -35.624
bonds (distance) P-C4' energy: -38.929
flat angles C4'-P-C4' energy: -39.753
flat angles P-C4'-P energy: -22.747
tors. eta vs tors. theta energy: -55.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -555.435863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.435863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.435863 (E_RNA)
where:
Base-Base interactions energy: -372.219
where: short stacking energy: -165.611
Base-Backbone interact. energy: -0.572
local terms energy: -182.645085
where:
bonds (distance) C4'-P energy: -32.921
bonds (distance) P-C4' energy: -42.058
flat angles C4'-P-C4' energy: -41.611
flat angles P-C4'-P energy: -21.211
tors. eta vs tors. theta energy: -44.844
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: 7
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -530.391191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.391191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.391191 (E_RNA)
where:
Base-Base interactions energy: -356.524
where: short stacking energy: -158.488
Base-Backbone interact. energy: 0.334
local terms energy: -174.201413
where:
bonds (distance) C4'-P energy: -29.183
bonds (distance) P-C4' energy: -33.797
flat angles C4'-P-C4' energy: -42.683
flat angles P-C4'-P energy: -26.207
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: 7, replica: 5
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -274.956118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.956118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.956118 (E_RNA)
where:
Base-Base interactions energy: -141.830
where: short stacking energy: -75.519
Base-Backbone interact. energy: -0.419
local terms energy: -132.707981
where:
bonds (distance) C4'-P energy: -35.670
bonds (distance) P-C4' energy: -40.022
flat angles C4'-P-C4' energy: -34.598
flat angles P-C4'-P energy: -15.261
tors. eta vs tors. theta energy: -7.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -197.444603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.444603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.444603 (E_RNA)
where:
Base-Base interactions energy: -68.273
where: short stacking energy: -64.840
Base-Backbone interact. energy: 1.326
local terms energy: -130.498025
where:
bonds (distance) C4'-P energy: -35.493
bonds (distance) P-C4' energy: -41.319
flat angles C4'-P-C4' energy: -37.856
flat angles P-C4'-P energy: -21.101
tors. eta vs tors. theta energy: 5.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -189.574721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.574721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.574721 (E_RNA)
where:
Base-Base interactions energy: -60.962
where: short stacking energy: -58.686
Base-Backbone interact. energy: -0.734
local terms energy: -127.878664
where:
bonds (distance) C4'-P energy: -31.907
bonds (distance) P-C4' energy: -34.072
flat angles C4'-P-C4' energy: -31.420
flat angles P-C4'-P energy: -24.996
tors. eta vs tors. theta energy: -5.484
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: 1
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -168.201507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.201507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.201507 (E_RNA)
where:
Base-Base interactions energy: -56.739
where: short stacking energy: -46.550
Base-Backbone interact. energy: -1.916
local terms energy: -109.546882
where:
bonds (distance) C4'-P energy: -32.801
bonds (distance) P-C4' energy: -31.134
flat angles C4'-P-C4' energy: -34.483
flat angles P-C4'-P energy: -12.954
tors. eta vs tors. theta energy: 1.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -670.007615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.007615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.007615 (E_RNA)
where:
Base-Base interactions energy: -442.858
where: short stacking energy: -204.227
Base-Backbone interact. energy: -0.908
local terms energy: -226.241341
where:
bonds (distance) C4'-P energy: -42.056
bonds (distance) P-C4' energy: -43.624
flat angles C4'-P-C4' energy: -46.505
flat angles P-C4'-P energy: -29.587
tors. eta vs tors. theta energy: -64.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -616.775960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.775960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.775960 (E_RNA)
where:
Base-Base interactions energy: -404.358
where: short stacking energy: -191.989
Base-Backbone interact. energy: -0.811
local terms energy: -211.606735
where:
bonds (distance) C4'-P energy: -38.222
bonds (distance) P-C4' energy: -42.466
flat angles C4'-P-C4' energy: -39.785
flat angles P-C4'-P energy: -33.226
tors. eta vs tors. theta energy: -57.908
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: 8
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -591.896879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.896879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.896879 (E_RNA)
where:
Base-Base interactions energy: -381.040
where: short stacking energy: -181.672
Base-Backbone interact. energy: -0.447
local terms energy: -210.409725
where:
bonds (distance) C4'-P energy: -37.603
bonds (distance) P-C4' energy: -33.133
flat angles C4'-P-C4' energy: -49.934
flat angles P-C4'-P energy: -30.991
tors. eta vs tors. theta energy: -58.748
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: 2
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -599.527212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.527212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.527212 (E_RNA)
where:
Base-Base interactions energy: -406.973
where: short stacking energy: -180.222
Base-Backbone interact. energy: 3.581
local terms energy: -196.134846
where:
bonds (distance) C4'-P energy: -32.386
bonds (distance) P-C4' energy: -35.683
flat angles C4'-P-C4' energy: -44.357
flat angles P-C4'-P energy: -28.071
tors. eta vs tors. theta energy: -55.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -545.586447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.586447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.586447 (E_RNA)
where:
Base-Base interactions energy: -357.786
where: short stacking energy: -150.071
Base-Backbone interact. energy: 1.871
local terms energy: -189.671925
where:
bonds (distance) C4'-P energy: -39.504
bonds (distance) P-C4' energy: -36.834
flat angles C4'-P-C4' energy: -39.392
flat angles P-C4'-P energy: -24.734
tors. eta vs tors. theta energy: -49.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -538.962159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.962159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.962159 (E_RNA)
where:
Base-Base interactions energy: -336.600
where: short stacking energy: -156.881
Base-Backbone interact. energy: -0.212
local terms energy: -202.150019
where:
bonds (distance) C4'-P energy: -39.823
bonds (distance) P-C4' energy: -38.085
flat angles C4'-P-C4' energy: -42.203
flat angles P-C4'-P energy: -32.455
tors. eta vs tors. theta energy: -49.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -261.881314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.881314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.881314 (E_RNA)
where:
Base-Base interactions energy: -131.941
where: short stacking energy: -79.014
Base-Backbone interact. energy: -0.849
local terms energy: -129.092150
where:
bonds (distance) C4'-P energy: -25.221
bonds (distance) P-C4' energy: -39.546
flat angles C4'-P-C4' energy: -28.789
flat angles P-C4'-P energy: -21.918
tors. eta vs tors. theta energy: -13.618
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: 243
Temperature: 1.250000
Total energy: -195.772070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.772070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.772070 (E_RNA)
where:
Base-Base interactions energy: -75.365
where: short stacking energy: -68.478
Base-Backbone interact. energy: 1.785
local terms energy: -122.191806
where:
bonds (distance) C4'-P energy: -40.374
bonds (distance) P-C4' energy: -39.617
flat angles C4'-P-C4' energy: -16.552
flat angles P-C4'-P energy: -18.979
tors. eta vs tors. theta energy: -6.671
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: 3
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -191.579633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.579633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.579633 (E_RNA)
where:
Base-Base interactions energy: -93.953
where: short stacking energy: -58.286
Base-Backbone interact. energy: 0.201
local terms energy: -97.827503
where:
bonds (distance) C4'-P energy: -35.538
bonds (distance) P-C4' energy: -34.341
flat angles C4'-P-C4' energy: -16.141
flat angles P-C4'-P energy: -12.774
tors. eta vs tors. theta energy: 0.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -177.486251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.486251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.486251 (E_RNA)
where:
Base-Base interactions energy: -57.022
where: short stacking energy: -56.002
Base-Backbone interact. energy: -1.002
local terms energy: -119.462198
where:
bonds (distance) C4'-P energy: -35.259
bonds (distance) P-C4' energy: -32.744
flat angles C4'-P-C4' energy: -32.257
flat angles P-C4'-P energy: -18.693
tors. eta vs tors. theta energy: -0.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -682.125258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.125258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.125258 (E_RNA)
where:
Base-Base interactions energy: -465.465
where: short stacking energy: -223.877
Base-Backbone interact. energy: -0.610
local terms energy: -216.050440
where:
bonds (distance) C4'-P energy: -45.151
bonds (distance) P-C4' energy: -34.839
flat angles C4'-P-C4' energy: -42.352
flat angles P-C4'-P energy: -25.203
tors. eta vs tors. theta energy: -68.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -595.418928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.418928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.418928 (E_RNA)
where:
Base-Base interactions energy: -386.351
where: short stacking energy: -178.729
Base-Backbone interact. energy: -0.053
local terms energy: -209.014634
where:
bonds (distance) C4'-P energy: -42.918
bonds (distance) P-C4' energy: -35.194
flat angles C4'-P-C4' energy: -44.284
flat angles P-C4'-P energy: -31.283
tors. eta vs tors. theta energy: -55.336
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: 3, replica: 2
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -619.580909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.580909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.580909 (E_RNA)
where:
Base-Base interactions energy: -400.376
where: short stacking energy: -185.820
Base-Backbone interact. energy: -0.107
local terms energy: -219.097393
where:
bonds (distance) C4'-P energy: -42.095
bonds (distance) P-C4' energy: -42.622
flat angles C4'-P-C4' energy: -43.514
flat angles P-C4'-P energy: -32.477
tors. eta vs tors. theta energy: -58.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -587.413307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.413307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.413307 (E_RNA)
where:
Base-Base interactions energy: -388.753
where: short stacking energy: -192.115
Base-Backbone interact. energy: -0.147
local terms energy: -198.513542
where:
bonds (distance) C4'-P energy: -31.946
bonds (distance) P-C4' energy: -33.596
flat angles C4'-P-C4' energy: -39.552
flat angles P-C4'-P energy: -32.082
tors. eta vs tors. theta energy: -61.338
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: 7
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -529.271621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.271621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.271621 (E_RNA)
where:
Base-Base interactions energy: -339.371
where: short stacking energy: -164.261
Base-Backbone interact. energy: -0.974
local terms energy: -188.926444
where:
bonds (distance) C4'-P energy: -30.524
bonds (distance) P-C4' energy: -38.971
flat angles C4'-P-C4' energy: -45.357
flat angles P-C4'-P energy: -29.001
tors. eta vs tors. theta energy: -45.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -550.597684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.597684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.597684 (E_RNA)
where:
Base-Base interactions energy: -358.922
where: short stacking energy: -154.978
Base-Backbone interact. energy: -0.355
local terms energy: -191.319878
where:
bonds (distance) C4'-P energy: -40.595
bonds (distance) P-C4' energy: -32.880
flat angles C4'-P-C4' energy: -41.335
flat angles P-C4'-P energy: -28.460
tors. eta vs tors. theta energy: -48.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -279.430237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.430237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.430237 (E_RNA)
where:
Base-Base interactions energy: -135.606
where: short stacking energy: -79.415
Base-Backbone interact. energy: -0.851
local terms energy: -142.972924
where:
bonds (distance) C4'-P energy: -44.007
bonds (distance) P-C4' energy: -33.262
flat angles C4'-P-C4' energy: -29.545
flat angles P-C4'-P energy: -24.427
tors. eta vs tors. theta energy: -11.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -193.635100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.635100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.635100 (E_RNA)
where:
Base-Base interactions energy: -82.748
where: short stacking energy: -47.609
Base-Backbone interact. energy: -0.273
local terms energy: -110.614161
where:
bonds (distance) C4'-P energy: -34.720
bonds (distance) P-C4' energy: -31.640
flat angles C4'-P-C4' energy: -27.569
flat angles P-C4'-P energy: -20.534
tors. eta vs tors. theta energy: 3.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -203.076466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.076466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.076466 (E_RNA)
where:
Base-Base interactions energy: -80.171
where: short stacking energy: -66.183
Base-Backbone interact. energy: -1.534
local terms energy: -121.371699
where:
bonds (distance) C4'-P energy: -33.548
bonds (distance) P-C4' energy: -33.431
flat angles C4'-P-C4' energy: -28.972
flat angles P-C4'-P energy: -19.372
tors. eta vs tors. theta energy: -6.049
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: 1
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -178.364180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.364180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.364180 (E_RNA)
where:
Base-Base interactions energy: -64.067
where: short stacking energy: -53.911
Base-Backbone interact. energy: 0.995
local terms energy: -115.292273
where:
bonds (distance) C4'-P energy: -36.628
bonds (distance) P-C4' energy: -37.481
flat angles C4'-P-C4' energy: -30.793
flat angles P-C4'-P energy: -16.434
tors. eta vs tors. theta energy: 6.044
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: 4
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -689.954231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.954231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.954231 (E_RNA)
where:
Base-Base interactions energy: -449.693
where: short stacking energy: -210.975
Base-Backbone interact. energy: -0.149
local terms energy: -240.112617
where:
bonds (distance) C4'-P energy: -43.808
bonds (distance) P-C4' energy: -48.328
flat angles C4'-P-C4' energy: -42.734
flat angles P-C4'-P energy: -33.565
tors. eta vs tors. theta energy: -71.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -611.951041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.951041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.951041 (E_RNA)
where:
Base-Base interactions energy: -418.285
where: short stacking energy: -186.319
Base-Backbone interact. energy: -0.125
local terms energy: -193.541780
where:
bonds (distance) C4'-P energy: -29.449
bonds (distance) P-C4' energy: -30.459
flat angles C4'-P-C4' energy: -42.846
flat angles P-C4'-P energy: -34.198
tors. eta vs tors. theta energy: -56.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -603.633347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.633347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.633347 (E_RNA)
where:
Base-Base interactions energy: -383.965
where: short stacking energy: -192.348
Base-Backbone interact. energy: -0.166
local terms energy: -219.502262
where:
bonds (distance) C4'-P energy: -37.450
bonds (distance) P-C4' energy: -42.380
flat angles C4'-P-C4' energy: -43.403
flat angles P-C4'-P energy: -31.988
tors. eta vs tors. theta energy: -64.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -583.662967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.662967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.662967 (E_RNA)
where:
Base-Base interactions energy: -377.359
where: short stacking energy: -188.928
Base-Backbone interact. energy: 1.360
local terms energy: -207.664067
where:
bonds (distance) C4'-P energy: -38.085
bonds (distance) P-C4' energy: -34.204
flat angles C4'-P-C4' energy: -40.046
flat angles P-C4'-P energy: -32.276
tors. eta vs tors. theta energy: -63.054
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: 5, replica: 7
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -542.620183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.620183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.620183 (E_RNA)
where:
Base-Base interactions energy: -360.622
where: short stacking energy: -173.666
Base-Backbone interact. energy: 0.620
local terms energy: -182.618688
where:
bonds (distance) C4'-P energy: -33.860
bonds (distance) P-C4' energy: -25.883
flat angles C4'-P-C4' energy: -41.700
flat angles P-C4'-P energy: -29.834
tors. eta vs tors. theta energy: -51.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -581.176555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.176555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.176555 (E_RNA)
where:
Base-Base interactions energy: -393.602
where: short stacking energy: -173.605
Base-Backbone interact. energy: -0.239
local terms energy: -187.335592
where:
bonds (distance) C4'-P energy: -33.582
bonds (distance) P-C4' energy: -30.704
flat angles C4'-P-C4' energy: -39.806
flat angles P-C4'-P energy: -25.257
tors. eta vs tors. theta energy: -57.987
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: 7, replica: 5
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -295.248980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.248980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.248980 (E_RNA)
where:
Base-Base interactions energy: -155.110
where: short stacking energy: -88.854
Base-Backbone interact. energy: 1.376
local terms energy: -141.515569
where:
bonds (distance) C4'-P energy: -31.586
bonds (distance) P-C4' energy: -32.571
flat angles C4'-P-C4' energy: -36.192
flat angles P-C4'-P energy: -22.136
tors. eta vs tors. theta energy: -19.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -198.195478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.195478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.195478 (E_RNA)
where:
Base-Base interactions energy: -72.076
where: short stacking energy: -66.642
Base-Backbone interact. energy: -0.108
local terms energy: -126.011642
where:
bonds (distance) C4'-P energy: -25.793
bonds (distance) P-C4' energy: -35.498
flat angles C4'-P-C4' energy: -36.376
flat angles P-C4'-P energy: -24.830
tors. eta vs tors. theta energy: -3.515
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: 10
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -188.750514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.750514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.750514 (E_RNA)
where:
Base-Base interactions energy: -74.076
where: short stacking energy: -59.750
Base-Backbone interact. energy: 0.327
local terms energy: -115.001380
where:
bonds (distance) C4'-P energy: -29.716
bonds (distance) P-C4' energy: -39.170
flat angles C4'-P-C4' energy: -33.827
flat angles P-C4'-P energy: -13.956
tors. eta vs tors. theta energy: 1.667
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: 1
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -172.139937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.139937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.139937 (E_RNA)
where:
Base-Base interactions energy: -50.189
where: short stacking energy: -46.664
Base-Backbone interact. energy: 0.948
local terms energy: -122.898789
where:
bonds (distance) C4'-P energy: -43.760
bonds (distance) P-C4' energy: -37.315
flat angles C4'-P-C4' energy: -30.809
flat angles P-C4'-P energy: -10.418
tors. eta vs tors. theta energy: -0.596
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: 4
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -680.958084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.958084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.958084 (E_RNA)
where:
Base-Base interactions energy: -454.715
where: short stacking energy: -220.431
Base-Backbone interact. energy: -1.056
local terms energy: -225.186797
where:
bonds (distance) C4'-P energy: -44.290
bonds (distance) P-C4' energy: -39.641
flat angles C4'-P-C4' energy: -44.789
flat angles P-C4'-P energy: -26.940
tors. eta vs tors. theta energy: -69.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -631.033593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.033593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.033593 (E_RNA)
where:
Base-Base interactions energy: -407.549
where: short stacking energy: -191.734
Base-Backbone interact. energy: -0.893
local terms energy: -222.590931
where:
bonds (distance) C4'-P energy: -36.542
bonds (distance) P-C4' energy: -37.351
flat angles C4'-P-C4' energy: -49.653
flat angles P-C4'-P energy: -37.611
tors. eta vs tors. theta energy: -61.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -614.185920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.185920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.185920 (E_RNA)
where:
Base-Base interactions energy: -398.814
where: short stacking energy: -191.867
Base-Backbone interact. energy: -2.137
local terms energy: -213.235108
where:
bonds (distance) C4'-P energy: -37.057
bonds (distance) P-C4' energy: -33.830
flat angles C4'-P-C4' energy: -51.221
flat angles P-C4'-P energy: -30.913
tors. eta vs tors. theta energy: -60.214
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: 8
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -582.335944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.335944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.335944 (E_RNA)
where:
Base-Base interactions energy: -366.122
where: short stacking energy: -178.092
Base-Backbone interact. energy: -0.411
local terms energy: -215.802939
where:
bonds (distance) C4'-P energy: -39.416
bonds (distance) P-C4' energy: -40.064
flat angles C4'-P-C4' energy: -42.397
flat angles P-C4'-P energy: -31.665
tors. eta vs tors. theta energy: -62.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -600.287834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.287834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.287834 (E_RNA)
where:
Base-Base interactions energy: -389.499
where: short stacking energy: -194.093
Base-Backbone interact. energy: 0.195
local terms energy: -210.984177
where:
bonds (distance) C4'-P energy: -36.992
bonds (distance) P-C4' energy: -40.043
flat angles C4'-P-C4' energy: -41.990
flat angles P-C4'-P energy: -35.364
tors. eta vs tors. theta energy: -56.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -520.339769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.339769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.339769 (E_RNA)
where:
Base-Base interactions energy: -325.966
where: short stacking energy: -139.336
Base-Backbone interact. energy: -1.348
local terms energy: -193.026317
where:
bonds (distance) C4'-P energy: -40.473
bonds (distance) P-C4' energy: -35.350
flat angles C4'-P-C4' energy: -43.834
flat angles P-C4'-P energy: -32.609
tors. eta vs tors. theta energy: -40.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -253.506857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.506857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.506857 (E_RNA)
where:
Base-Base interactions energy: -132.747
where: short stacking energy: -75.325
Base-Backbone interact. energy: -0.730
local terms energy: -120.030085
where:
bonds (distance) C4'-P energy: -36.065
bonds (distance) P-C4' energy: -31.654
flat angles C4'-P-C4' energy: -31.998
flat angles P-C4'-P energy: -12.631
tors. eta vs tors. theta energy: -7.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -210.176187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.176187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.176187 (E_RNA)
where:
Base-Base interactions energy: -105.414
where: short stacking energy: -63.524
Base-Backbone interact. energy: -1.449
local terms energy: -103.313002
where:
bonds (distance) C4'-P energy: -29.314
bonds (distance) P-C4' energy: -34.540
flat angles C4'-P-C4' energy: -21.817
flat angles P-C4'-P energy: -17.702
tors. eta vs tors. theta energy: 0.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -181.647111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.647111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.647111 (E_RNA)
where:
Base-Base interactions energy: -76.739
where: short stacking energy: -70.735
Base-Backbone interact. energy: 0.757
local terms energy: -105.665540
where:
bonds (distance) C4'-P energy: -30.499
bonds (distance) P-C4' energy: -29.499
flat angles C4'-P-C4' energy: -26.887
flat angles P-C4'-P energy: -11.608
tors. eta vs tors. theta energy: -7.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -159.204255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.204255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.204255 (E_RNA)
where:
Base-Base interactions energy: -40.670
where: short stacking energy: -37.572
Base-Backbone interact. energy: -0.462
local terms energy: -118.071512
where:
bonds (distance) C4'-P energy: -34.591
bonds (distance) P-C4' energy: -43.368
flat angles C4'-P-C4' energy: -26.114
flat angles P-C4'-P energy: -22.248
tors. eta vs tors. theta energy: 8.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -680.156010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.156010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.156010 (E_RNA)
where:
Base-Base interactions energy: -466.500
where: short stacking energy: -218.456
Base-Backbone interact. energy: -1.107
local terms energy: -212.549251
where:
bonds (distance) C4'-P energy: -37.952
bonds (distance) P-C4' energy: -43.319
flat angles C4'-P-C4' energy: -42.320
flat angles P-C4'-P energy: -25.110
tors. eta vs tors. theta energy: -63.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -619.761612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.761612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.761612 (E_RNA)
where:
Base-Base interactions energy: -418.145
where: short stacking energy: -188.748
Base-Backbone interact. energy: -0.229
local terms energy: -201.387983
where:
bonds (distance) C4'-P energy: -30.491
bonds (distance) P-C4' energy: -42.490
flat angles C4'-P-C4' energy: -40.472
flat angles P-C4'-P energy: -28.873
tors. eta vs tors. theta energy: -59.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -605.441519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.441519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.441519 (E_RNA)
where:
Base-Base interactions energy: -389.419
where: short stacking energy: -184.485
Base-Backbone interact. energy: 1.343
local terms energy: -217.365436
where:
bonds (distance) C4'-P energy: -42.000
bonds (distance) P-C4' energy: -38.211
flat angles C4'-P-C4' energy: -41.876
flat angles P-C4'-P energy: -34.917
tors. eta vs tors. theta energy: -60.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -615.217992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.217992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.217992 (E_RNA)
where:
Base-Base interactions energy: -418.828
where: short stacking energy: -188.058
Base-Backbone interact. energy: 0.143
local terms energy: -196.533621
where:
bonds (distance) C4'-P energy: -34.087
bonds (distance) P-C4' energy: -32.504
flat angles C4'-P-C4' energy: -41.760
flat angles P-C4'-P energy: -24.296
tors. eta vs tors. theta energy: -63.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -578.713337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.713337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.713337 (E_RNA)
where:
Base-Base interactions energy: -381.340
where: short stacking energy: -182.033
Base-Backbone interact. energy: -0.496
local terms energy: -196.876764
where:
bonds (distance) C4'-P energy: -35.571
bonds (distance) P-C4' energy: -36.384
flat angles C4'-P-C4' energy: -47.036
flat angles P-C4'-P energy: -26.032
tors. eta vs tors. theta energy: -51.854
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: 7
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -521.498183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.498183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.498183 (E_RNA)
where:
Base-Base interactions energy: -338.160
where: short stacking energy: -156.159
Base-Backbone interact. energy: -0.096
local terms energy: -183.241750
where:
bonds (distance) C4'-P energy: -39.832
bonds (distance) P-C4' energy: -33.676
flat angles C4'-P-C4' energy: -35.038
flat angles P-C4'-P energy: -28.456
tors. eta vs tors. theta energy: -46.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -235.587582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.587582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.587582 (E_RNA)
where:
Base-Base interactions energy: -108.750
where: short stacking energy: -59.927
Base-Backbone interact. energy: -1.407
local terms energy: -125.430906
where:
bonds (distance) C4'-P energy: -34.928
bonds (distance) P-C4' energy: -39.844
flat angles C4'-P-C4' energy: -35.869
flat angles P-C4'-P energy: -16.813
tors. eta vs tors. theta energy: 2.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -221.732878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.732878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.732878 (E_RNA)
where:
Base-Base interactions energy: -79.315
where: short stacking energy: -54.324
Base-Backbone interact. energy: 1.216
local terms energy: -143.633694
where:
bonds (distance) C4'-P energy: -34.706
bonds (distance) P-C4' energy: -39.732
flat angles C4'-P-C4' energy: -38.852
flat angles P-C4'-P energy: -22.735
tors. eta vs tors. theta energy: -7.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -192.578152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.578152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.578152 (E_RNA)
where:
Base-Base interactions energy: -73.977
where: short stacking energy: -49.442
Base-Backbone interact. energy: -1.235
local terms energy: -117.366146
where:
bonds (distance) C4'-P energy: -28.082
bonds (distance) P-C4' energy: -35.356
flat angles C4'-P-C4' energy: -27.494
flat angles P-C4'-P energy: -24.323
tors. eta vs tors. theta energy: -2.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -164.034787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.034787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.034787 (E_RNA)
where:
Base-Base interactions energy: -38.228
where: short stacking energy: -33.373
Base-Backbone interact. energy: -0.293
local terms energy: -125.514621
where:
bonds (distance) C4'-P energy: -43.105
bonds (distance) P-C4' energy: -33.785
flat angles C4'-P-C4' energy: -32.958
flat angles P-C4'-P energy: -15.500
tors. eta vs tors. theta energy: -0.167
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: 4
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -681.417326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.417326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.417326 (E_RNA)
where:
Base-Base interactions energy: -460.456
where: short stacking energy: -212.532
Base-Backbone interact. energy: -0.375
local terms energy: -220.585942
where:
bonds (distance) C4'-P energy: -44.230
bonds (distance) P-C4' energy: -39.049
flat angles C4'-P-C4' energy: -44.987
flat angles P-C4'-P energy: -27.177
tors. eta vs tors. theta energy: -65.144
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: 2, replica: 2
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -639.371020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.371020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.371020 (E_RNA)
where:
Base-Base interactions energy: -435.461
where: short stacking energy: -197.919
Base-Backbone interact. energy: -0.111
local terms energy: -203.799522
where:
bonds (distance) C4'-P energy: -39.370
bonds (distance) P-C4' energy: -36.771
flat angles C4'-P-C4' energy: -43.630
flat angles P-C4'-P energy: -24.116
tors. eta vs tors. theta energy: -59.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -650.902148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.902148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.902148 (E_RNA)
where:
Base-Base interactions energy: -426.601
where: short stacking energy: -200.188
Base-Backbone interact. energy: -0.699
local terms energy: -223.602455
where:
bonds (distance) C4'-P energy: -43.023
bonds (distance) P-C4' energy: -44.508
flat angles C4'-P-C4' energy: -39.249
flat angles P-C4'-P energy: -32.788
tors. eta vs tors. theta energy: -64.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -581.682131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.682131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.682131 (E_RNA)
where:
Base-Base interactions energy: -384.914
where: short stacking energy: -189.893
Base-Backbone interact. energy: -0.248
local terms energy: -196.520765
where:
bonds (distance) C4'-P energy: -30.877
bonds (distance) P-C4' energy: -29.197
flat angles C4'-P-C4' energy: -48.160
flat angles P-C4'-P energy: -27.487
tors. eta vs tors. theta energy: -60.800
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: 7
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -535.752089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.752089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.752089 (E_RNA)
where:
Base-Base interactions energy: -347.524
where: short stacking energy: -161.005
Base-Backbone interact. energy: -0.204
local terms energy: -188.024276
where:
bonds (distance) C4'-P energy: -36.584
bonds (distance) P-C4' energy: -38.434
flat angles C4'-P-C4' energy: -41.323
flat angles P-C4'-P energy: -23.440
tors. eta vs tors. theta energy: -48.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -518.645115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.645115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.645115 (E_RNA)
where:
Base-Base interactions energy: -340.069
where: short stacking energy: -165.452
Base-Backbone interact. energy: -2.014
local terms energy: -176.562140
where:
bonds (distance) C4'-P energy: -37.799
bonds (distance) P-C4' energy: -34.450
flat angles C4'-P-C4' energy: -33.499
flat angles P-C4'-P energy: -24.799
tors. eta vs tors. theta energy: -46.015
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: 3
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -271.832022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.832022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.832022 (E_RNA)
where:
Base-Base interactions energy: -121.402
where: short stacking energy: -72.658
Base-Backbone interact. energy: -0.506
local terms energy: -149.923850
where:
bonds (distance) C4'-P energy: -38.929
bonds (distance) P-C4' energy: -40.959
flat angles C4'-P-C4' energy: -30.948
flat angles P-C4'-P energy: -26.189
tors. eta vs tors. theta energy: -12.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -201.559365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.559365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.559365 (E_RNA)
where:
Base-Base interactions energy: -83.752
where: short stacking energy: -56.244
Base-Backbone interact. energy: -2.302
local terms energy: -115.505941
where:
bonds (distance) C4'-P energy: -36.664
bonds (distance) P-C4' energy: -38.349
flat angles C4'-P-C4' energy: -29.068
flat angles P-C4'-P energy: -11.902
tors. eta vs tors. theta energy: 0.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -178.633512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.633512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.633512 (E_RNA)
where:
Base-Base interactions energy: -52.847
where: short stacking energy: -49.160
Base-Backbone interact. energy: -0.791
local terms energy: -124.995685
where:
bonds (distance) C4'-P energy: -37.758
bonds (distance) P-C4' energy: -38.840
flat angles C4'-P-C4' energy: -35.931
flat angles P-C4'-P energy: -10.856
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: 10, replica: 10
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -162.444441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.444441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.444441 (E_RNA)
where:
Base-Base interactions energy: -48.738
where: short stacking energy: -38.169
Base-Backbone interact. energy: -1.176
local terms energy: -112.530497
where:
bonds (distance) C4'-P energy: -34.928
bonds (distance) P-C4' energy: -35.676
flat angles C4'-P-C4' energy: -27.338
flat angles P-C4'-P energy: -15.312
tors. eta vs tors. theta energy: 0.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -673.650750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.650750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.650750 (E_RNA)
where:
Base-Base interactions energy: -440.345
where: short stacking energy: -208.357
Base-Backbone interact. energy: -1.061
local terms energy: -232.245180
where:
bonds (distance) C4'-P energy: -40.493
bonds (distance) P-C4' energy: -42.172
flat angles C4'-P-C4' energy: -47.862
flat angles P-C4'-P energy: -35.147
tors. eta vs tors. theta energy: -66.572
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: 6
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -655.957029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.957029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.957029 (E_RNA)
where:
Base-Base interactions energy: -443.173
where: short stacking energy: -200.827
Base-Backbone interact. energy: -0.631
local terms energy: -212.152316
where:
bonds (distance) C4'-P energy: -31.848
bonds (distance) P-C4' energy: -40.666
flat angles C4'-P-C4' energy: -39.977
flat angles P-C4'-P energy: -32.798
tors. eta vs tors. theta energy: -66.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -636.252141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.252141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.252141 (E_RNA)
where:
Base-Base interactions energy: -419.289
where: short stacking energy: -192.609
Base-Backbone interact. energy: -0.368
local terms energy: -216.595192
where:
bonds (distance) C4'-P energy: -33.456
bonds (distance) P-C4' energy: -39.986
flat angles C4'-P-C4' energy: -47.766
flat angles P-C4'-P energy: -35.719
tors. eta vs tors. theta energy: -59.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -585.259176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.259176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.259176 (E_RNA)
where:
Base-Base interactions energy: -376.209
where: short stacking energy: -185.090
Base-Backbone interact. energy: -0.168
local terms energy: -208.881457
where:
bonds (distance) C4'-P energy: -41.827
bonds (distance) P-C4' energy: -36.132
flat angles C4'-P-C4' energy: -44.649
flat angles P-C4'-P energy: -31.076
tors. eta vs tors. theta energy: -55.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -552.786749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.786749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.786749 (E_RNA)
where:
Base-Base interactions energy: -377.172
where: short stacking energy: -169.767
Base-Backbone interact. energy: -0.031
local terms energy: -175.584063
where:
bonds (distance) C4'-P energy: -34.049
bonds (distance) P-C4' energy: -27.601
flat angles C4'-P-C4' energy: -36.860
flat angles P-C4'-P energy: -29.737
tors. eta vs tors. theta energy: -47.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -550.587096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.587096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.587096 (E_RNA)
where:
Base-Base interactions energy: -356.043
where: short stacking energy: -179.160
Base-Backbone interact. energy: -0.756
local terms energy: -193.787836
where:
bonds (distance) C4'-P energy: -39.543
bonds (distance) P-C4' energy: -29.348
flat angles C4'-P-C4' energy: -42.859
flat angles P-C4'-P energy: -26.786
tors. eta vs tors. theta energy: -55.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -267.618081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.618081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.618081 (E_RNA)
where:
Base-Base interactions energy: -123.994
where: short stacking energy: -80.587
Base-Backbone interact. energy: -0.483
local terms energy: -143.140694
where:
bonds (distance) C4'-P energy: -34.598
bonds (distance) P-C4' energy: -37.251
flat angles C4'-P-C4' energy: -39.436
flat angles P-C4'-P energy: -18.764
tors. eta vs tors. theta energy: -13.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -223.408849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.408849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.408849 (E_RNA)
where:
Base-Base interactions energy: -104.236
where: short stacking energy: -62.370
Base-Backbone interact. energy: -2.114
local terms energy: -117.058790
where:
bonds (distance) C4'-P energy: -41.445
bonds (distance) P-C4' energy: -29.137
flat angles C4'-P-C4' energy: -34.431
flat angles P-C4'-P energy: -13.397
tors. eta vs tors. theta energy: 1.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -170.320279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.320279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.320279 (E_RNA)
where:
Base-Base interactions energy: -55.868
where: short stacking energy: -36.369
Base-Backbone interact. energy: -0.029
local terms energy: -114.423260
where:
bonds (distance) C4'-P energy: -37.755
bonds (distance) P-C4' energy: -35.550
flat angles C4'-P-C4' energy: -21.424
flat angles P-C4'-P energy: -33.641
tors. eta vs tors. theta energy: 13.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -180.575742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.575742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.575742 (E_RNA)
where:
Base-Base interactions energy: -75.977
where: short stacking energy: -44.332
Base-Backbone interact. energy: -0.290
local terms energy: -104.308650
where:
bonds (distance) C4'-P energy: -36.406
bonds (distance) P-C4' energy: -42.863
flat angles C4'-P-C4' energy: -20.312
flat angles P-C4'-P energy: -15.386
tors. eta vs tors. theta energy: 10.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -671.132567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.132567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.132567 (E_RNA)
where:
Base-Base interactions energy: -449.745
where: short stacking energy: -210.044
Base-Backbone interact. energy: -0.690
local terms energy: -220.697860
where:
bonds (distance) C4'-P energy: -45.226
bonds (distance) P-C4' energy: -35.534
flat angles C4'-P-C4' energy: -42.096
flat angles P-C4'-P energy: -30.724
tors. eta vs tors. theta energy: -67.118
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: 4
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -661.272908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.272908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.272908 (E_RNA)
where:
Base-Base interactions energy: -445.244
where: short stacking energy: -209.572
Base-Backbone interact. energy: -0.865
local terms energy: -215.163427
where:
bonds (distance) C4'-P energy: -37.620
bonds (distance) P-C4' energy: -37.496
flat angles C4'-P-C4' energy: -45.276
flat angles P-C4'-P energy: -26.530
tors. eta vs tors. theta energy: -68.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -613.413701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.413701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.413701 (E_RNA)
where:
Base-Base interactions energy: -414.815
where: short stacking energy: -192.025
Base-Backbone interact. energy: -1.060
local terms energy: -197.539183
where:
bonds (distance) C4'-P energy: -33.830
bonds (distance) P-C4' energy: -33.522
flat angles C4'-P-C4' energy: -43.773
flat angles P-C4'-P energy: -26.933
tors. eta vs tors. theta energy: -59.481
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: 9
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -565.744285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.744285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.744285 (E_RNA)
where:
Base-Base interactions energy: -371.271
where: short stacking energy: -172.062
Base-Backbone interact. energy: 0.426
local terms energy: -194.899620
where:
bonds (distance) C4'-P energy: -37.168
bonds (distance) P-C4' energy: -41.668
flat angles C4'-P-C4' energy: -40.737
flat angles P-C4'-P energy: -26.433
tors. eta vs tors. theta energy: -48.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -562.237799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.237799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.237799 (E_RNA)
where:
Base-Base interactions energy: -364.295
where: short stacking energy: -176.716
Base-Backbone interact. energy: -0.209
local terms energy: -197.733953
where:
bonds (distance) C4'-P energy: -32.877
bonds (distance) P-C4' energy: -38.864
flat angles C4'-P-C4' energy: -43.158
flat angles P-C4'-P energy: -31.372
tors. eta vs tors. theta energy: -51.462
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: 250
Temperature: 1.150000
Total energy: -531.630124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.630124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.630124 (E_RNA)
where:
Base-Base interactions energy: -335.605
where: short stacking energy: -165.851
Base-Backbone interact. energy: -0.591
local terms energy: -195.434154
where:
bonds (distance) C4'-P energy: -32.424
bonds (distance) P-C4' energy: -40.616
flat angles C4'-P-C4' energy: -40.477
flat angles P-C4'-P energy: -30.747
tors. eta vs tors. theta energy: -51.169
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: 7, replica: 3
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -258.371170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.371170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.371170 (E_RNA)
where:
Base-Base interactions energy: -122.716
where: short stacking energy: -88.405
Base-Backbone interact. energy: -0.192
local terms energy: -135.463984
where:
bonds (distance) C4'-P energy: -37.065
bonds (distance) P-C4' energy: -43.251
flat angles C4'-P-C4' energy: -22.541
flat angles P-C4'-P energy: -22.697
tors. eta vs tors. theta energy: -9.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -198.365914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.365914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.365914 (E_RNA)
where:
Base-Base interactions energy: -72.997
where: short stacking energy: -61.989
Base-Backbone interact. energy: -0.319
local terms energy: -125.050521
where:
bonds (distance) C4'-P energy: -30.702
bonds (distance) P-C4' energy: -33.476
flat angles C4'-P-C4' energy: -39.535
flat angles P-C4'-P energy: -15.917
tors. eta vs tors. theta energy: -5.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -171.894372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.894372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.894372 (E_RNA)
where:
Base-Base interactions energy: -63.853
where: short stacking energy: -51.916
Base-Backbone interact. energy: -0.128
local terms energy: -107.913318
where:
bonds (distance) C4'-P energy: -30.365
bonds (distance) P-C4' energy: -35.865
flat angles C4'-P-C4' energy: -31.242
flat angles P-C4'-P energy: -15.606
tors. eta vs tors. theta energy: 5.165
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: 10, replica: 1
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -186.717542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.717542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.717542 (E_RNA)
where:
Base-Base interactions energy: -76.284
where: short stacking energy: -67.291
Base-Backbone interact. energy: -1.267
local terms energy: -109.166538
where:
bonds (distance) C4'-P energy: -32.207
bonds (distance) P-C4' energy: -24.646
flat angles C4'-P-C4' energy: -32.675
flat angles P-C4'-P energy: -13.716
tors. eta vs tors. theta energy: -5.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -684.631002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.631002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.631002 (E_RNA)
where:
Base-Base interactions energy: -462.663
where: short stacking energy: -215.783
Base-Backbone interact. energy: 2.858
local terms energy: -224.825646
where:
bonds (distance) C4'-P energy: -43.361
bonds (distance) P-C4' energy: -38.300
flat angles C4'-P-C4' energy: -42.036
flat angles P-C4'-P energy: -34.549
tors. eta vs tors. theta energy: -66.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -642.043405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.043405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.043405 (E_RNA)
where:
Base-Base interactions energy: -432.005
where: short stacking energy: -197.768
Base-Backbone interact. energy: -0.235
local terms energy: -209.802896
where:
bonds (distance) C4'-P energy: -36.395
bonds (distance) P-C4' energy: -40.023
flat angles C4'-P-C4' energy: -41.544
flat angles P-C4'-P energy: -24.830
tors. eta vs tors. theta energy: -67.011
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: 2
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -602.291561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.291561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.291561 (E_RNA)
where:
Base-Base interactions energy: -403.070
where: short stacking energy: -179.614
Base-Backbone interact. energy: -0.074
local terms energy: -199.147059
where:
bonds (distance) C4'-P energy: -30.478
bonds (distance) P-C4' energy: -40.068
flat angles C4'-P-C4' energy: -41.347
flat angles P-C4'-P energy: -28.468
tors. eta vs tors. theta energy: -58.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -558.375178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.375178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.375178 (E_RNA)
where:
Base-Base interactions energy: -368.536
where: short stacking energy: -169.856
Base-Backbone interact. energy: 1.124
local terms energy: -190.962693
where:
bonds (distance) C4'-P energy: -42.726
bonds (distance) P-C4' energy: -29.983
flat angles C4'-P-C4' energy: -41.201
flat angles P-C4'-P energy: -30.078
tors. eta vs tors. theta energy: -46.976
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: 5, replica: 7
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -546.436490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.436490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.436490 (E_RNA)
where:
Base-Base interactions energy: -345.510
where: short stacking energy: -166.198
Base-Backbone interact. energy: -0.601
local terms energy: -200.325478
where:
bonds (distance) C4'-P energy: -42.707
bonds (distance) P-C4' energy: -37.929
flat angles C4'-P-C4' energy: -41.701
flat angles P-C4'-P energy: -29.534
tors. eta vs tors. theta energy: -48.455
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: 251
Temperature: 1.150000
Total energy: -561.818053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.818053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.818053 (E_RNA)
where:
Base-Base interactions energy: -359.687
where: short stacking energy: -181.276
Base-Backbone interact. energy: -0.672
local terms energy: -201.458911
where:
bonds (distance) C4'-P energy: -36.842
bonds (distance) P-C4' energy: -32.448
flat angles C4'-P-C4' energy: -47.642
flat angles P-C4'-P energy: -27.734
tors. eta vs tors. theta energy: -56.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -266.305388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.305388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.305388 (E_RNA)
where:
Base-Base interactions energy: -125.772
where: short stacking energy: -78.205
Base-Backbone interact. energy: 2.021
local terms energy: -142.553992
where:
bonds (distance) C4'-P energy: -30.705
bonds (distance) P-C4' energy: -35.815
flat angles C4'-P-C4' energy: -40.069
flat angles P-C4'-P energy: -18.720
tors. eta vs tors. theta energy: -17.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -197.034274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.034274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.034274 (E_RNA)
where:
Base-Base interactions energy: -79.616
where: short stacking energy: -59.894
Base-Backbone interact. energy: 2.454
local terms energy: -119.872946
where:
bonds (distance) C4'-P energy: -36.608
bonds (distance) P-C4' energy: -43.068
flat angles C4'-P-C4' energy: -31.644
flat angles P-C4'-P energy: -17.433
tors. eta vs tors. theta energy: 8.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -193.583894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.583894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.583894 (E_RNA)
where:
Base-Base interactions energy: -85.897
where: short stacking energy: -62.125
Base-Backbone interact. energy: -0.779
local terms energy: -106.907407
where:
bonds (distance) C4'-P energy: -27.633
bonds (distance) P-C4' energy: -34.764
flat angles C4'-P-C4' energy: -34.431
flat angles P-C4'-P energy: -11.073
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: 10, replica: 1
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -177.749758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.749758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.749758 (E_RNA)
where:
Base-Base interactions energy: -75.417
where: short stacking energy: -42.323
Base-Backbone interact. energy: 1.167
local terms energy: -103.500182
where:
bonds (distance) C4'-P energy: -35.511
bonds (distance) P-C4' energy: -33.759
flat angles C4'-P-C4' energy: -31.114
flat angles P-C4'-P energy: -12.595
tors. eta vs tors. theta energy: 9.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -689.315227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.315227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.315227 (E_RNA)
where:
Base-Base interactions energy: -459.391
where: short stacking energy: -215.001
Base-Backbone interact. energy: -0.007
local terms energy: -229.917358
where:
bonds (distance) C4'-P energy: -41.933
bonds (distance) P-C4' energy: -36.124
flat angles C4'-P-C4' energy: -48.354
flat angles P-C4'-P energy: -32.332
tors. eta vs tors. theta energy: -71.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -632.204485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.204485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.204485 (E_RNA)
where:
Base-Base interactions energy: -425.487
where: short stacking energy: -202.324
Base-Backbone interact. energy: -0.319
local terms energy: -206.398147
where:
bonds (distance) C4'-P energy: -39.376
bonds (distance) P-C4' energy: -29.768
flat angles C4'-P-C4' energy: -43.995
flat angles P-C4'-P energy: -33.003
tors. eta vs tors. theta energy: -60.256
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: 9
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -574.366920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.366920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.366920 (E_RNA)
where:
Base-Base interactions energy: -378.458
where: short stacking energy: -179.832
Base-Backbone interact. energy: -0.665
local terms energy: -195.243803
where:
bonds (distance) C4'-P energy: -29.738
bonds (distance) P-C4' energy: -37.350
flat angles C4'-P-C4' energy: -44.215
flat angles P-C4'-P energy: -28.885
tors. eta vs tors. theta energy: -55.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -577.077189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.077189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.077189 (E_RNA)
where:
Base-Base interactions energy: -390.603
where: short stacking energy: -182.125
Base-Backbone interact. energy: 1.737
local terms energy: -188.211993
where:
bonds (distance) C4'-P energy: -33.672
bonds (distance) P-C4' energy: -41.529
flat angles C4'-P-C4' energy: -35.246
flat angles P-C4'-P energy: -26.380
tors. eta vs tors. theta energy: -51.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -544.943691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.943691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.943691 (E_RNA)
where:
Base-Base interactions energy: -347.853
where: short stacking energy: -168.110
Base-Backbone interact. energy: -1.418
local terms energy: -195.672010
where:
bonds (distance) C4'-P energy: -33.013
bonds (distance) P-C4' energy: -39.294
flat angles C4'-P-C4' energy: -45.125
flat angles P-C4'-P energy: -26.617
tors. eta vs tors. theta energy: -51.623
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: 8
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -537.783754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.783754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.783754 (E_RNA)
where:
Base-Base interactions energy: -337.490
where: short stacking energy: -162.193
Base-Backbone interact. energy: 0.271
local terms energy: -200.564260
where:
bonds (distance) C4'-P energy: -40.155
bonds (distance) P-C4' energy: -33.685
flat angles C4'-P-C4' energy: -39.621
flat angles P-C4'-P energy: -32.120
tors. eta vs tors. theta energy: -54.983
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: 5
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -212.162100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.162100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.162100 (E_RNA)
where:
Base-Base interactions energy: -84.103
where: short stacking energy: -55.521
Base-Backbone interact. energy: -0.393
local terms energy: -127.666351
where:
bonds (distance) C4'-P energy: -36.842
bonds (distance) P-C4' energy: -38.472
flat angles C4'-P-C4' energy: -27.886
flat angles P-C4'-P energy: -22.009
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: 8, replica: 3
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -192.643802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.643802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.643802 (E_RNA)
where:
Base-Base interactions energy: -62.715
where: short stacking energy: -53.989
Base-Backbone interact. energy: -0.468
local terms energy: -129.460637
where:
bonds (distance) C4'-P energy: -39.717
bonds (distance) P-C4' energy: -41.595
flat angles C4'-P-C4' energy: -24.314
flat angles P-C4'-P energy: -14.792
tors. eta vs tors. theta energy: -9.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -186.641884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.641884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.641884 (E_RNA)
where:
Base-Base interactions energy: -54.956
where: short stacking energy: -50.214
Base-Backbone interact. energy: -0.404
local terms energy: -131.281606
where:
bonds (distance) C4'-P energy: -37.130
bonds (distance) P-C4' energy: -39.135
flat angles C4'-P-C4' energy: -32.594
flat angles P-C4'-P energy: -23.887
tors. eta vs tors. theta energy: 1.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -188.024587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.024587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.024587 (E_RNA)
where:
Base-Base interactions energy: -62.047
where: short stacking energy: -59.541
Base-Backbone interact. energy: -0.055
local terms energy: -125.922805
where:
bonds (distance) C4'-P energy: -26.967
bonds (distance) P-C4' energy: -38.504
flat angles C4'-P-C4' energy: -25.722
flat angles P-C4'-P energy: -28.524
tors. eta vs tors. theta energy: -6.206
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: 6
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -670.155050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.155050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.155050 (E_RNA)
where:
Base-Base interactions energy: -448.649
where: short stacking energy: -198.149
Base-Backbone interact. energy: -0.010
local terms energy: -221.495548
where:
bonds (distance) C4'-P energy: -43.418
bonds (distance) P-C4' energy: -38.502
flat angles C4'-P-C4' energy: -42.710
flat angles P-C4'-P energy: -33.692
tors. eta vs tors. theta energy: -63.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -652.930564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.930564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.930564 (E_RNA)
where:
Base-Base interactions energy: -434.974
where: short stacking energy: -205.035
Base-Backbone interact. energy: -0.619
local terms energy: -217.337738
where:
bonds (distance) C4'-P energy: -40.642
bonds (distance) P-C4' energy: -38.863
flat angles C4'-P-C4' energy: -40.707
flat angles P-C4'-P energy: -28.076
tors. eta vs tors. theta energy: -69.050
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: 9
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -584.719159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.719159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.719159 (E_RNA)
where:
Base-Base interactions energy: -379.498
where: short stacking energy: -183.123
Base-Backbone interact. energy: -0.831
local terms energy: -204.390272
where:
bonds (distance) C4'-P energy: -32.473
bonds (distance) P-C4' energy: -42.300
flat angles C4'-P-C4' energy: -40.085
flat angles P-C4'-P energy: -32.255
tors. eta vs tors. theta energy: -57.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -592.858888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.858888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.858888 (E_RNA)
where:
Base-Base interactions energy: -404.936
where: short stacking energy: -183.178
Base-Backbone interact. energy: 1.770
local terms energy: -189.692156
where:
bonds (distance) C4'-P energy: -32.646
bonds (distance) P-C4' energy: -36.906
flat angles C4'-P-C4' energy: -37.344
flat angles P-C4'-P energy: -31.724
tors. eta vs tors. theta energy: -51.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -576.991743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.991743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.991743 (E_RNA)
where:
Base-Base interactions energy: -389.512
where: short stacking energy: -186.592
Base-Backbone interact. energy: -0.773
local terms energy: -186.706951
where:
bonds (distance) C4'-P energy: -30.907
bonds (distance) P-C4' energy: -38.425
flat angles C4'-P-C4' energy: -41.315
flat angles P-C4'-P energy: -23.116
tors. eta vs tors. theta energy: -52.944
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: 6, replica: 8
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -564.365977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.365977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.365977 (E_RNA)
where:
Base-Base interactions energy: -368.800
where: short stacking energy: -179.785
Base-Backbone interact. energy: -0.218
local terms energy: -195.348108
where:
bonds (distance) C4'-P energy: -36.511
bonds (distance) P-C4' energy: -35.471
flat angles C4'-P-C4' energy: -47.371
flat angles P-C4'-P energy: -21.444
tors. eta vs tors. theta energy: -54.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -213.341511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.341511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.341511 (E_RNA)
where:
Base-Base interactions energy: -78.805
where: short stacking energy: -68.358
Base-Backbone interact. energy: 3.499
local terms energy: -138.035849
where:
bonds (distance) C4'-P energy: -30.131
bonds (distance) P-C4' energy: -38.939
flat angles C4'-P-C4' energy: -37.226
flat angles P-C4'-P energy: -18.524
tors. eta vs tors. theta energy: -13.216
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: 3
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -198.140181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.140181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.140181 (E_RNA)
where:
Base-Base interactions energy: -71.261
where: short stacking energy: -62.679
Base-Backbone interact. energy: -0.412
local terms energy: -126.466881
where:
bonds (distance) C4'-P energy: -28.541
bonds (distance) P-C4' energy: -33.577
flat angles C4'-P-C4' energy: -33.837
flat angles P-C4'-P energy: -21.926
tors. eta vs tors. theta energy: -8.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -168.296249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.296249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.296249 (E_RNA)
where:
Base-Base interactions energy: -57.079
where: short stacking energy: -48.685
Base-Backbone interact. energy: -0.286
local terms energy: -110.931154
where:
bonds (distance) C4'-P energy: -28.683
bonds (distance) P-C4' energy: -40.394
flat angles C4'-P-C4' energy: -23.643
flat angles P-C4'-P energy: -14.793
tors. eta vs tors. theta energy: -3.418
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: 10
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -178.180652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.180652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.180652 (E_RNA)
where:
Base-Base interactions energy: -49.710
where: short stacking energy: -42.708
Base-Backbone interact. energy: -1.189
local terms energy: -127.281642
where:
bonds (distance) C4'-P energy: -22.600
bonds (distance) P-C4' energy: -36.358
flat angles C4'-P-C4' energy: -33.435
flat angles P-C4'-P energy: -21.615
tors. eta vs tors. theta energy: -13.274
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: 1, replica: 6
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -675.790784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.790784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.790784 (E_RNA)
where:
Base-Base interactions energy: -445.592
where: short stacking energy: -205.566
Base-Backbone interact. energy: -0.375
local terms energy: -229.823826
where:
bonds (distance) C4'-P energy: -42.904
bonds (distance) P-C4' energy: -46.221
flat angles C4'-P-C4' energy: -47.583
flat angles P-C4'-P energy: -26.464
tors. eta vs tors. theta energy: -66.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -667.331219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.331219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.331219 (E_RNA)
where:
Base-Base interactions energy: -441.864
where: short stacking energy: -195.935
Base-Backbone interact. energy: -1.201
local terms energy: -224.266395
where:
bonds (distance) C4'-P energy: -39.773
bonds (distance) P-C4' energy: -41.945
flat angles C4'-P-C4' energy: -40.780
flat angles P-C4'-P energy: -35.394
tors. eta vs tors. theta energy: -66.375
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: 2
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -601.318355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.318355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.318355 (E_RNA)
where:
Base-Base interactions energy: -392.569
where: short stacking energy: -174.522
Base-Backbone interact. energy: -0.681
local terms energy: -208.068638
where:
bonds (distance) C4'-P energy: -41.788
bonds (distance) P-C4' energy: -38.457
flat angles C4'-P-C4' energy: -42.131
flat angles P-C4'-P energy: -37.067
tors. eta vs tors. theta energy: -48.626
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: 4, replica: 9
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -561.244295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.244295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.244295 (E_RNA)
where:
Base-Base interactions energy: -363.548
where: short stacking energy: -162.226
Base-Backbone interact. energy: 1.101
local terms energy: -198.796880
where:
bonds (distance) C4'-P energy: -35.753
bonds (distance) P-C4' energy: -42.326
flat angles C4'-P-C4' energy: -42.622
flat angles P-C4'-P energy: -32.756
tors. eta vs tors. theta energy: -45.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -570.972281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.972281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.972281 (E_RNA)
where:
Base-Base interactions energy: -366.201
where: short stacking energy: -170.829
Base-Backbone interact. energy: -0.299
local terms energy: -204.471413
where:
bonds (distance) C4'-P energy: -36.155
bonds (distance) P-C4' energy: -42.443
flat angles C4'-P-C4' energy: -45.015
flat angles P-C4'-P energy: -23.657
tors. eta vs tors. theta energy: -57.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -543.780652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.780652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.780652 (E_RNA)
where:
Base-Base interactions energy: -358.947
where: short stacking energy: -176.998
Base-Backbone interact. energy: -0.089
local terms energy: -184.745265
where:
bonds (distance) C4'-P energy: -31.550
bonds (distance) P-C4' energy: -27.583
flat angles C4'-P-C4' energy: -45.330
flat angles P-C4'-P energy: -23.966
tors. eta vs tors. theta energy: -56.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -239.013314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.013314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.013314 (E_RNA)
where:
Base-Base interactions energy: -107.038
where: short stacking energy: -64.599
Base-Backbone interact. energy: -0.622
local terms energy: -131.353010
where:
bonds (distance) C4'-P energy: -33.825
bonds (distance) P-C4' energy: -32.112
flat angles C4'-P-C4' energy: -34.238
flat angles P-C4'-P energy: -29.034
tors. eta vs tors. theta energy: -2.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -200.233040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.233040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.233040 (E_RNA)
where:
Base-Base interactions energy: -74.953
where: short stacking energy: -47.308
Base-Backbone interact. energy: -1.492
local terms energy: -123.787976
where:
bonds (distance) C4'-P energy: -43.002
bonds (distance) P-C4' energy: -35.692
flat angles C4'-P-C4' energy: -25.635
flat angles P-C4'-P energy: -19.613
tors. eta vs tors. theta energy: 0.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -177.700877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.700877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.700877 (E_RNA)
where:
Base-Base interactions energy: -62.012
where: short stacking energy: -47.883
Base-Backbone interact. energy: -0.358
local terms energy: -115.331456
where:
bonds (distance) C4'-P energy: -37.843
bonds (distance) P-C4' energy: -26.622
flat angles C4'-P-C4' energy: -29.285
flat angles P-C4'-P energy: -20.651
tors. eta vs tors. theta energy: -0.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -169.491506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.491506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.491506 (E_RNA)
where:
Base-Base interactions energy: -68.411
where: short stacking energy: -58.653
Base-Backbone interact. energy: -0.245
local terms energy: -100.835178
where:
bonds (distance) C4'-P energy: -26.756
bonds (distance) P-C4' energy: -31.757
flat angles C4'-P-C4' energy: -28.962
flat angles P-C4'-P energy: -15.481
tors. eta vs tors. theta energy: 2.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -661.829238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.829238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.829238 (E_RNA)
where:
Base-Base interactions energy: -435.591
where: short stacking energy: -203.169
Base-Backbone interact. energy: -0.006
local terms energy: -226.232853
where:
bonds (distance) C4'-P energy: -43.151
bonds (distance) P-C4' energy: -46.293
flat angles C4'-P-C4' energy: -41.933
flat angles P-C4'-P energy: -30.999
tors. eta vs tors. theta energy: -63.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -667.350932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.350932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.350932 (E_RNA)
where:
Base-Base interactions energy: -441.534
where: short stacking energy: -204.330
Base-Backbone interact. energy: -1.696
local terms energy: -224.120831
where:
bonds (distance) C4'-P energy: -45.322
bonds (distance) P-C4' energy: -36.153
flat angles C4'-P-C4' energy: -45.210
flat angles P-C4'-P energy: -31.638
tors. eta vs tors. theta energy: -65.798
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: 3, replica: 2
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -609.368864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.368864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.368864 (E_RNA)
where:
Base-Base interactions energy: -411.084
where: short stacking energy: -184.732
Base-Backbone interact. energy: -0.558
local terms energy: -197.726761
where:
bonds (distance) C4'-P energy: -40.719
bonds (distance) P-C4' energy: -35.352
flat angles C4'-P-C4' energy: -39.252
flat angles P-C4'-P energy: -25.449
tors. eta vs tors. theta energy: -56.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -576.986893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.986893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.986893 (E_RNA)
where:
Base-Base interactions energy: -372.244
where: short stacking energy: -187.422
Base-Backbone interact. energy: -0.268
local terms energy: -204.474568
where:
bonds (distance) C4'-P energy: -38.027
bonds (distance) P-C4' energy: -36.161
flat angles C4'-P-C4' energy: -47.305
flat angles P-C4'-P energy: -22.688
tors. eta vs tors. theta energy: -60.294
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: 9
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -535.490297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.490297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.490297 (E_RNA)
where:
Base-Base interactions energy: -354.638
where: short stacking energy: -159.063
Base-Backbone interact. energy: -1.870
local terms energy: -178.982224
where:
bonds (distance) C4'-P energy: -33.595
bonds (distance) P-C4' energy: -38.414
flat angles C4'-P-C4' energy: -39.999
flat angles P-C4'-P energy: -27.412
tors. eta vs tors. theta energy: -39.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -532.079658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.079658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.079658 (E_RNA)
where:
Base-Base interactions energy: -343.571
where: short stacking energy: -154.267
Base-Backbone interact. energy: -0.376
local terms energy: -188.133423
where:
bonds (distance) C4'-P energy: -39.874
bonds (distance) P-C4' energy: -35.612
flat angles C4'-P-C4' energy: -44.505
flat angles P-C4'-P energy: -27.303
tors. eta vs tors. theta energy: -40.840
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: 7, replica: 5
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -228.586525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.586525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.586525 (E_RNA)
where:
Base-Base interactions energy: -97.344
where: short stacking energy: -63.413
Base-Backbone interact. energy: -0.398
local terms energy: -130.844765
where:
bonds (distance) C4'-P energy: -35.243
bonds (distance) P-C4' energy: -37.859
flat angles C4'-P-C4' energy: -36.768
flat angles P-C4'-P energy: -19.442
tors. eta vs tors. theta energy: -1.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -192.446918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.446918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.446918 (E_RNA)
where:
Base-Base interactions energy: -49.691
where: short stacking energy: -49.170
Base-Backbone interact. energy: -0.142
local terms energy: -142.614023
where:
bonds (distance) C4'-P energy: -34.819
bonds (distance) P-C4' energy: -39.395
flat angles C4'-P-C4' energy: -39.179
flat angles P-C4'-P energy: -21.290
tors. eta vs tors. theta energy: -7.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -207.836672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.836672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.836672 (E_RNA)
where:
Base-Base interactions energy: -83.664
where: short stacking energy: -57.673
Base-Backbone interact. energy: 0.362
local terms energy: -124.535059
where:
bonds (distance) C4'-P energy: -39.713
bonds (distance) P-C4' energy: -33.901
flat angles C4'-P-C4' energy: -28.366
flat angles P-C4'-P energy: -17.893
tors. eta vs tors. theta energy: -4.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -158.300164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.300164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.300164 (E_RNA)
where:
Base-Base interactions energy: -44.721
where: short stacking energy: -39.688
Base-Backbone interact. energy: 1.565
local terms energy: -115.144494
where:
bonds (distance) C4'-P energy: -30.169
bonds (distance) P-C4' energy: -34.745
flat angles C4'-P-C4' energy: -37.792
flat angles P-C4'-P energy: -17.920
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: 1, replica: 6
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -665.529247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.529247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.529247 (E_RNA)
where:
Base-Base interactions energy: -438.888
where: short stacking energy: -204.471
Base-Backbone interact. energy: -0.502
local terms energy: -226.139293
where:
bonds (distance) C4'-P energy: -40.095
bonds (distance) P-C4' energy: -45.324
flat angles C4'-P-C4' energy: -39.538
flat angles P-C4'-P energy: -34.395
tors. eta vs tors. theta energy: -66.787
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: 4
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -646.354170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.354170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.354170 (E_RNA)
where:
Base-Base interactions energy: -449.088
where: short stacking energy: -210.053
Base-Backbone interact. energy: -1.872
local terms energy: -195.393429
where:
bonds (distance) C4'-P energy: -35.220
bonds (distance) P-C4' energy: -31.293
flat angles C4'-P-C4' energy: -43.128
flat angles P-C4'-P energy: -23.821
tors. eta vs tors. theta energy: -61.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -598.281470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.281470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.281470 (E_RNA)
where:
Base-Base interactions energy: -391.093
where: short stacking energy: -198.509
Base-Backbone interact. energy: -0.054
local terms energy: -207.134108
where:
bonds (distance) C4'-P energy: -36.565
bonds (distance) P-C4' energy: -31.871
flat angles C4'-P-C4' energy: -44.696
flat angles P-C4'-P energy: -32.104
tors. eta vs tors. theta energy: -61.897
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: 4, replica: 2
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -600.155454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.155454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.155454 (E_RNA)
where:
Base-Base interactions energy: -404.322
where: short stacking energy: -178.771
Base-Backbone interact. energy: 1.248
local terms energy: -197.081104
where:
bonds (distance) C4'-P energy: -42.841
bonds (distance) P-C4' energy: -30.178
flat angles C4'-P-C4' energy: -37.061
flat angles P-C4'-P energy: -25.642
tors. eta vs tors. theta energy: -61.360
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: 8
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -559.393186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.393186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.393186 (E_RNA)
where:
Base-Base interactions energy: -373.995
where: short stacking energy: -174.553
Base-Backbone interact. energy: -0.173
local terms energy: -185.225634
where:
bonds (distance) C4'-P energy: -33.431
bonds (distance) P-C4' energy: -40.508
flat angles C4'-P-C4' energy: -34.646
flat angles P-C4'-P energy: -22.939
tors. eta vs tors. theta energy: -53.701
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: 6, replica: 9
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -555.241771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.241771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.241771 (E_RNA)
where:
Base-Base interactions energy: -366.964
where: short stacking energy: -190.350
Base-Backbone interact. energy: -0.392
local terms energy: -187.885722
where:
bonds (distance) C4'-P energy: -31.677
bonds (distance) P-C4' energy: -34.472
flat angles C4'-P-C4' energy: -38.592
flat angles P-C4'-P energy: -24.932
tors. eta vs tors. theta energy: -58.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -196.902626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.902626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.902626 (E_RNA)
where:
Base-Base interactions energy: -65.966
where: short stacking energy: -63.028
Base-Backbone interact. energy: -1.437
local terms energy: -129.499014
where:
bonds (distance) C4'-P energy: -34.447
bonds (distance) P-C4' energy: -36.203
flat angles C4'-P-C4' energy: -30.912
flat angles P-C4'-P energy: -24.731
tors. eta vs tors. theta energy: -3.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -196.164126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.164126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.164126 (E_RNA)
where:
Base-Base interactions energy: -79.008
where: short stacking energy: -61.320
Base-Backbone interact. energy: -0.048
local terms energy: -117.107445
where:
bonds (distance) C4'-P energy: -32.451
bonds (distance) P-C4' energy: -36.624
flat angles C4'-P-C4' energy: -29.251
flat angles P-C4'-P energy: -16.274
tors. eta vs tors. theta energy: -2.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -175.193383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.193383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.193383 (E_RNA)
where:
Base-Base interactions energy: -61.969
where: short stacking energy: -53.351
Base-Backbone interact. energy: 2.320
local terms energy: -115.544426
where:
bonds (distance) C4'-P energy: -35.020
bonds (distance) P-C4' energy: -35.531
flat angles C4'-P-C4' energy: -27.426
flat angles P-C4'-P energy: -22.606
tors. eta vs tors. theta energy: 5.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -170.479587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.479587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.479587 (E_RNA)
where:
Base-Base interactions energy: -53.757
where: short stacking energy: -50.908
Base-Backbone interact. energy: -0.863
local terms energy: -115.859504
where:
bonds (distance) C4'-P energy: -28.650
bonds (distance) P-C4' energy: -38.726
flat angles C4'-P-C4' energy: -35.460
flat angles P-C4'-P energy: -14.001
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: 6
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -674.213024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.213024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.213024 (E_RNA)
where:
Base-Base interactions energy: -452.890
where: short stacking energy: -211.914
Base-Backbone interact. energy: -0.329
local terms energy: -220.994152
where:
bonds (distance) C4'-P energy: -41.837
bonds (distance) P-C4' energy: -34.885
flat angles C4'-P-C4' energy: -46.626
flat angles P-C4'-P energy: -33.447
tors. eta vs tors. theta energy: -64.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -613.111425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.111425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.111425 (E_RNA)
where:
Base-Base interactions energy: -404.295
where: short stacking energy: -194.123
Base-Backbone interact. energy: -0.624
local terms energy: -208.192135
where:
bonds (distance) C4'-P energy: -36.240
bonds (distance) P-C4' energy: -35.186
flat angles C4'-P-C4' energy: -45.560
flat angles P-C4'-P energy: -32.450
tors. eta vs tors. theta energy: -58.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -649.837136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.837136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.837136 (E_RNA)
where:
Base-Base interactions energy: -433.060
where: short stacking energy: -190.487
Base-Backbone interact. energy: -0.487
local terms energy: -216.289624
where:
bonds (distance) C4'-P energy: -33.075
bonds (distance) P-C4' energy: -42.632
flat angles C4'-P-C4' energy: -43.819
flat angles P-C4'-P energy: -30.270
tors. eta vs tors. theta energy: -66.493
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: 2
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -585.974669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.974669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.974669 (E_RNA)
where:
Base-Base interactions energy: -391.317
where: short stacking energy: -183.084
Base-Backbone interact. energy: -1.625
local terms energy: -193.032582
where:
bonds (distance) C4'-P energy: -33.460
bonds (distance) P-C4' energy: -40.726
flat angles C4'-P-C4' energy: -35.161
flat angles P-C4'-P energy: -26.089
tors. eta vs tors. theta energy: -57.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -562.971372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.971372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.971372 (E_RNA)
where:
Base-Base interactions energy: -376.298
where: short stacking energy: -173.414
Base-Backbone interact. energy: -0.670
local terms energy: -186.002879
where:
bonds (distance) C4'-P energy: -38.038
bonds (distance) P-C4' energy: -39.470
flat angles C4'-P-C4' energy: -40.271
flat angles P-C4'-P energy: -20.660
tors. eta vs tors. theta energy: -47.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -556.422156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.422156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.422156 (E_RNA)
where:
Base-Base interactions energy: -362.815
where: short stacking energy: -172.072
Base-Backbone interact. energy: -0.572
local terms energy: -193.035371
where:
bonds (distance) C4'-P energy: -32.059
bonds (distance) P-C4' energy: -36.109
flat angles C4'-P-C4' energy: -39.801
flat angles P-C4'-P energy: -33.004
tors. eta vs tors. theta energy: -52.062
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: 10
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -227.473795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.473795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.473795 (E_RNA)
where:
Base-Base interactions energy: -88.732
where: short stacking energy: -65.233
Base-Backbone interact. energy: 0.490
local terms energy: -139.232049
where:
bonds (distance) C4'-P energy: -32.798
bonds (distance) P-C4' energy: -37.329
flat angles C4'-P-C4' energy: -34.804
flat angles P-C4'-P energy: -22.468
tors. eta vs tors. theta energy: -11.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -204.888408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.888408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.888408 (E_RNA)
where:
Base-Base interactions energy: -69.906
where: short stacking energy: -58.816
Base-Backbone interact. energy: -0.472
local terms energy: -134.510937
where:
bonds (distance) C4'-P energy: -35.997
bonds (distance) P-C4' energy: -41.732
flat angles C4'-P-C4' energy: -33.283
flat angles P-C4'-P energy: -20.116
tors. eta vs tors. theta energy: -3.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -190.891520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.891520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.891520 (E_RNA)
where:
Base-Base interactions energy: -58.922
where: short stacking energy: -37.432
Base-Backbone interact. energy: 0.256
local terms energy: -132.225045
where:
bonds (distance) C4'-P energy: -39.164
bonds (distance) P-C4' energy: -33.279
flat angles C4'-P-C4' energy: -39.918
flat angles P-C4'-P energy: -17.566
tors. eta vs tors. theta energy: -2.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -161.968007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.968007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.968007 (E_RNA)
where:
Base-Base interactions energy: -41.849
where: short stacking energy: -39.744
Base-Backbone interact. energy: -0.711
local terms energy: -119.408651
where:
bonds (distance) C4'-P energy: -38.768
bonds (distance) P-C4' energy: -37.196
flat angles C4'-P-C4' energy: -24.144
flat angles P-C4'-P energy: -16.890
tors. eta vs tors. theta energy: -2.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -677.004648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.004648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.004648 (E_RNA)
where:
Base-Base interactions energy: -451.700
where: short stacking energy: -212.248
Base-Backbone interact. energy: 0.073
local terms energy: -225.377583
where:
bonds (distance) C4'-P energy: -41.612
bonds (distance) P-C4' energy: -39.765
flat angles C4'-P-C4' energy: -48.276
flat angles P-C4'-P energy: -29.392
tors. eta vs tors. theta energy: -66.333
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: 7
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -604.244579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.244579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.244579 (E_RNA)
where:
Base-Base interactions energy: -389.691
where: short stacking energy: -193.303
Base-Backbone interact. energy: 1.263
local terms energy: -215.816857
where:
bonds (distance) C4'-P energy: -39.106
bonds (distance) P-C4' energy: -42.157
flat angles C4'-P-C4' energy: -50.054
flat angles P-C4'-P energy: -28.227
tors. eta vs tors. theta energy: -56.273
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: 4
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -635.189214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.189214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.189214 (E_RNA)
where:
Base-Base interactions energy: -433.429
where: short stacking energy: -200.241
Base-Backbone interact. energy: -0.878
local terms energy: -200.882373
where:
bonds (distance) C4'-P energy: -35.879
bonds (distance) P-C4' energy: -30.459
flat angles C4'-P-C4' energy: -43.212
flat angles P-C4'-P energy: -33.429
tors. eta vs tors. theta energy: -57.903
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: 2
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -601.353644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.353644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.353644 (E_RNA)
where:
Base-Base interactions energy: -399.970
where: short stacking energy: -175.552
Base-Backbone interact. energy: 0.382
local terms energy: -201.766266
where:
bonds (distance) C4'-P energy: -40.942
bonds (distance) P-C4' energy: -35.147
flat angles C4'-P-C4' energy: -44.132
flat angles P-C4'-P energy: -25.425
tors. eta vs tors. theta energy: -56.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -562.114480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.114480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.114480 (E_RNA)
where:
Base-Base interactions energy: -368.425
where: short stacking energy: -174.658
Base-Backbone interact. energy: -0.334
local terms energy: -193.355407
where:
bonds (distance) C4'-P energy: -40.668
bonds (distance) P-C4' energy: -30.186
flat angles C4'-P-C4' energy: -43.624
flat angles P-C4'-P energy: -27.174
tors. eta vs tors. theta energy: -51.705
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: 9
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -544.549189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.549189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.549189 (E_RNA)
where:
Base-Base interactions energy: -354.465
where: short stacking energy: -162.274
Base-Backbone interact. energy: -0.053
local terms energy: -190.031693
where:
bonds (distance) C4'-P energy: -37.492
bonds (distance) P-C4' energy: -35.287
flat angles C4'-P-C4' energy: -38.752
flat angles P-C4'-P energy: -30.645
tors. eta vs tors. theta energy: -47.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -200.489922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.489922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.489922 (E_RNA)
where:
Base-Base interactions energy: -78.830
where: short stacking energy: -50.783
Base-Backbone interact. energy: 2.529
local terms energy: -124.189322
where:
bonds (distance) C4'-P energy: -34.934
bonds (distance) P-C4' energy: -34.432
flat angles C4'-P-C4' energy: -29.912
flat angles P-C4'-P energy: -27.589
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: 8, replica: 1
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -234.375850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.375850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.375850 (E_RNA)
where:
Base-Base interactions energy: -104.045
where: short stacking energy: -81.993
Base-Backbone interact. energy: -0.660
local terms energy: -129.671722
where:
bonds (distance) C4'-P energy: -31.165
bonds (distance) P-C4' energy: -34.653
flat angles C4'-P-C4' energy: -33.432
flat angles P-C4'-P energy: -22.304
tors. eta vs tors. theta energy: -8.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -183.158577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.158577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.158577 (E_RNA)
where:
Base-Base interactions energy: -72.794
where: short stacking energy: -42.125
Base-Backbone interact. energy: 1.381
local terms energy: -111.745061
where:
bonds (distance) C4'-P energy: -43.992
bonds (distance) P-C4' energy: -29.653
flat angles C4'-P-C4' energy: -31.198
flat angles P-C4'-P energy: -13.411
tors. eta vs tors. theta energy: 6.510
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: 10, replica: 5
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -186.349353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.349353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.349353 (E_RNA)
where:
Base-Base interactions energy: -80.098
where: short stacking energy: -53.035
Base-Backbone interact. energy: 3.140
local terms energy: -109.391924
where:
bonds (distance) C4'-P energy: -36.826
bonds (distance) P-C4' energy: -38.839
flat angles C4'-P-C4' energy: -25.158
flat angles P-C4'-P energy: -11.788
tors. eta vs tors. theta energy: 3.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -670.818934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.818934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.818934 (E_RNA)
where:
Base-Base interactions energy: -447.690
where: short stacking energy: -212.305
Base-Backbone interact. energy: -0.019
local terms energy: -223.110279
where:
bonds (distance) C4'-P energy: -36.663
bonds (distance) P-C4' energy: -40.694
flat angles C4'-P-C4' energy: -46.176
flat angles P-C4'-P energy: -35.017
tors. eta vs tors. theta energy: -64.561
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: 4
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -669.708782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.708782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.708782 (E_RNA)
where:
Base-Base interactions energy: -445.238
where: short stacking energy: -198.322
Base-Backbone interact. energy: 0.434
local terms energy: -224.904901
where:
bonds (distance) C4'-P energy: -38.908
bonds (distance) P-C4' energy: -46.751
flat angles C4'-P-C4' energy: -40.633
flat angles P-C4'-P energy: -33.926
tors. eta vs tors. theta energy: -64.687
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: 7
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -595.200601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.200601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.200601 (E_RNA)
where:
Base-Base interactions energy: -372.502
where: short stacking energy: -189.219
Base-Backbone interact. energy: -0.497
local terms energy: -222.202013
where:
bonds (distance) C4'-P energy: -42.409
bonds (distance) P-C4' energy: -38.852
flat angles C4'-P-C4' energy: -49.473
flat angles P-C4'-P energy: -31.760
tors. eta vs tors. theta energy: -59.707
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: 8
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -600.014367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.014367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.014367 (E_RNA)
where:
Base-Base interactions energy: -385.804
where: short stacking energy: -194.057
Base-Backbone interact. energy: 2.067
local terms energy: -216.277693
where:
bonds (distance) C4'-P energy: -40.477
bonds (distance) P-C4' energy: -43.832
flat angles C4'-P-C4' energy: -42.209
flat angles P-C4'-P energy: -31.502
tors. eta vs tors. theta energy: -58.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -597.347655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.347655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.347655 (E_RNA)
where:
Base-Base interactions energy: -402.405
where: short stacking energy: -169.449
Base-Backbone interact. energy: -1.123
local terms energy: -193.820304
where:
bonds (distance) C4'-P energy: -37.944
bonds (distance) P-C4' energy: -42.006
flat angles C4'-P-C4' energy: -38.656
flat angles P-C4'-P energy: -18.942
tors. eta vs tors. theta energy: -56.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -553.758301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.758301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.758301 (E_RNA)
where:
Base-Base interactions energy: -358.698
where: short stacking energy: -172.462
Base-Backbone interact. energy: -0.833
local terms energy: -194.227216
where:
bonds (distance) C4'-P energy: -38.105
bonds (distance) P-C4' energy: -32.262
flat angles C4'-P-C4' energy: -40.332
flat angles P-C4'-P energy: -31.063
tors. eta vs tors. theta energy: -52.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -215.606304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.606304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.606304 (E_RNA)
where:
Base-Base interactions energy: -97.140
where: short stacking energy: -55.930
Base-Backbone interact. energy: 1.731
local terms energy: -120.196974
where:
bonds (distance) C4'-P energy: -34.164
bonds (distance) P-C4' energy: -40.232
flat angles C4'-P-C4' energy: -32.628
flat angles P-C4'-P energy: -15.092
tors. eta vs tors. theta energy: 1.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -237.618047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.618047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.618047 (E_RNA)
where:
Base-Base interactions energy: -101.759
where: short stacking energy: -65.307
Base-Backbone interact. energy: -1.114
local terms energy: -134.744665
where:
bonds (distance) C4'-P energy: -34.885
bonds (distance) P-C4' energy: -39.631
flat angles C4'-P-C4' energy: -34.543
flat angles P-C4'-P energy: -23.063
tors. eta vs tors. theta energy: -2.624
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: 3
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -182.495271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.495271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.495271 (E_RNA)
where:
Base-Base interactions energy: -71.109
where: short stacking energy: -36.906
Base-Backbone interact. energy: -0.633
local terms energy: -110.753372
where:
bonds (distance) C4'-P energy: -32.151
bonds (distance) P-C4' energy: -42.629
flat angles C4'-P-C4' energy: -18.500
flat angles P-C4'-P energy: -22.851
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: 259
Temperature: 1.350000
Total energy: -164.319535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.319535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.319535 (E_RNA)
where:
Base-Base interactions energy: -51.943
where: short stacking energy: -47.701
Base-Backbone interact. energy: -1.389
local terms energy: -110.988294
where:
bonds (distance) C4'-P energy: -33.005
bonds (distance) P-C4' energy: -41.749
flat angles C4'-P-C4' energy: -33.390
flat angles P-C4'-P energy: -11.202
tors. eta vs tors. theta energy: 8.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -665.822162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.822162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.822162 (E_RNA)
where:
Base-Base interactions energy: -440.461
where: short stacking energy: -209.266
Base-Backbone interact. energy: -0.024
local terms energy: -225.336673
where:
bonds (distance) C4'-P energy: -35.877
bonds (distance) P-C4' energy: -38.518
flat angles C4'-P-C4' energy: -48.156
flat angles P-C4'-P energy: -37.186
tors. eta vs tors. theta energy: -65.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -655.619518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.619518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.619518 (E_RNA)
where:
Base-Base interactions energy: -442.440
where: short stacking energy: -201.160
Base-Backbone interact. energy: -0.242
local terms energy: -212.936987
where:
bonds (distance) C4'-P energy: -39.967
bonds (distance) P-C4' energy: -40.012
flat angles C4'-P-C4' energy: -45.053
flat angles P-C4'-P energy: -27.259
tors. eta vs tors. theta energy: -60.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -577.032021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.032021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.032021 (E_RNA)
where:
Base-Base interactions energy: -384.289
where: short stacking energy: -181.892
Base-Backbone interact. energy: -0.244
local terms energy: -192.499508
where:
bonds (distance) C4'-P energy: -34.182
bonds (distance) P-C4' energy: -34.392
flat angles C4'-P-C4' energy: -43.955
flat angles P-C4'-P energy: -25.328
tors. eta vs tors. theta energy: -54.643
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: 4, replica: 8
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -575.616461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.616461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.616461 (E_RNA)
where:
Base-Base interactions energy: -365.920
where: short stacking energy: -173.438
Base-Backbone interact. energy: -0.860
local terms energy: -208.836750
where:
bonds (distance) C4'-P energy: -35.579
bonds (distance) P-C4' energy: -37.889
flat angles C4'-P-C4' energy: -42.437
flat angles P-C4'-P energy: -31.415
tors. eta vs tors. theta energy: -61.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -575.710033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.710033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.710033 (E_RNA)
where:
Base-Base interactions energy: -383.825
where: short stacking energy: -172.571
Base-Backbone interact. energy: 1.974
local terms energy: -193.858822
where:
bonds (distance) C4'-P energy: -34.323
bonds (distance) P-C4' energy: -36.042
flat angles C4'-P-C4' energy: -42.216
flat angles P-C4'-P energy: -28.156
tors. eta vs tors. theta energy: -53.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -536.190902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.190902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.190902 (E_RNA)
where:
Base-Base interactions energy: -365.668
where: short stacking energy: -173.123
Base-Backbone interact. energy: 0.592
local terms energy: -171.114386
where:
bonds (distance) C4'-P energy: -30.931
bonds (distance) P-C4' energy: -34.401
flat angles C4'-P-C4' energy: -44.880
flat angles P-C4'-P energy: -14.312
tors. eta vs tors. theta energy: -46.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -232.769210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.769210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.769210 (E_RNA)
where:
Base-Base interactions energy: -113.184
where: short stacking energy: -57.902
Base-Backbone interact. energy: -0.461
local terms energy: -119.124264
where:
bonds (distance) C4'-P energy: -28.836
bonds (distance) P-C4' energy: -34.038
flat angles C4'-P-C4' energy: -34.124
flat angles P-C4'-P energy: -20.681
tors. eta vs tors. theta energy: -1.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -203.011124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.011124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.011124 (E_RNA)
where:
Base-Base interactions energy: -68.022
where: short stacking energy: -52.355
Base-Backbone interact. energy: 0.838
local terms energy: -135.827478
where:
bonds (distance) C4'-P energy: -33.472
bonds (distance) P-C4' energy: -42.051
flat angles C4'-P-C4' energy: -32.182
flat angles P-C4'-P energy: -26.997
tors. eta vs tors. theta energy: -1.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -190.836828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.836828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.836828 (E_RNA)
where:
Base-Base interactions energy: -62.360
where: short stacking energy: -34.950
Base-Backbone interact. energy: 0.758
local terms energy: -129.234847
where:
bonds (distance) C4'-P energy: -35.253
bonds (distance) P-C4' energy: -42.905
flat angles C4'-P-C4' energy: -29.449
flat angles P-C4'-P energy: -20.562
tors. eta vs tors. theta energy: -1.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -166.576523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.576523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.576523 (E_RNA)
where:
Base-Base interactions energy: -62.264
where: short stacking energy: -55.399
Base-Backbone interact. energy: -0.506
local terms energy: -103.807350
where:
bonds (distance) C4'-P energy: -32.703
bonds (distance) P-C4' energy: -33.285
flat angles C4'-P-C4' energy: -26.476
flat angles P-C4'-P energy: -15.632
tors. eta vs tors. theta energy: 4.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -671.917115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.917115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.917115 (E_RNA)
where:
Base-Base interactions energy: -443.412
where: short stacking energy: -201.947
Base-Backbone interact. energy: -0.438
local terms energy: -228.066380
where:
bonds (distance) C4'-P energy: -42.328
bonds (distance) P-C4' energy: -38.586
flat angles C4'-P-C4' energy: -46.740
flat angles P-C4'-P energy: -32.716
tors. eta vs tors. theta energy: -67.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -665.486644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.486644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.486644 (E_RNA)
where:
Base-Base interactions energy: -446.848
where: short stacking energy: -211.412
Base-Backbone interact. energy: -1.153
local terms energy: -217.485673
where:
bonds (distance) C4'-P energy: -33.818
bonds (distance) P-C4' energy: -38.944
flat angles C4'-P-C4' energy: -48.940
flat angles P-C4'-P energy: -32.536
tors. eta vs tors. theta energy: -63.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -597.036619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.036619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.036619 (E_RNA)
where:
Base-Base interactions energy: -390.504
where: short stacking energy: -187.912
Base-Backbone interact. energy: -0.408
local terms energy: -206.124195
where:
bonds (distance) C4'-P energy: -33.268
bonds (distance) P-C4' energy: -44.562
flat angles C4'-P-C4' energy: -43.450
flat angles P-C4'-P energy: -24.606
tors. eta vs tors. theta energy: -60.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -578.250204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.250204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.250204 (E_RNA)
where:
Base-Base interactions energy: -378.812
where: short stacking energy: -178.613
Base-Backbone interact. energy: -0.064
local terms energy: -199.374969
where:
bonds (distance) C4'-P energy: -35.696
bonds (distance) P-C4' energy: -43.787
flat angles C4'-P-C4' energy: -36.180
flat angles P-C4'-P energy: -26.322
tors. eta vs tors. theta energy: -57.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -610.865264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.865264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.865264 (E_RNA)
where:
Base-Base interactions energy: -400.775
where: short stacking energy: -187.731
Base-Backbone interact. energy: -0.190
local terms energy: -209.900057
where:
bonds (distance) C4'-P energy: -38.352
bonds (distance) P-C4' energy: -36.993
flat angles C4'-P-C4' energy: -41.859
flat angles P-C4'-P energy: -32.808
tors. eta vs tors. theta energy: -59.888
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: 9
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -528.411463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.411463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.411463 (E_RNA)
where:
Base-Base interactions energy: -331.875
where: short stacking energy: -150.305
Base-Backbone interact. energy: -1.532
local terms energy: -195.004887
where:
bonds (distance) C4'-P energy: -37.855
bonds (distance) P-C4' energy: -40.850
flat angles C4'-P-C4' energy: -44.631
flat angles P-C4'-P energy: -27.904
tors. eta vs tors. theta energy: -43.765
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: 1
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -223.685137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.685137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.685137 (E_RNA)
where:
Base-Base interactions energy: -79.283
where: short stacking energy: -75.046
Base-Backbone interact. energy: 0.712
local terms energy: -145.114023
where:
bonds (distance) C4'-P energy: -41.696
bonds (distance) P-C4' energy: -27.089
flat angles C4'-P-C4' energy: -35.896
flat angles P-C4'-P energy: -29.068
tors. eta vs tors. theta energy: -11.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -192.376023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.376023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.376023 (E_RNA)
where:
Base-Base interactions energy: -78.444
where: short stacking energy: -65.037
Base-Backbone interact. energy: -0.367
local terms energy: -113.565193
where:
bonds (distance) C4'-P energy: -31.831
bonds (distance) P-C4' energy: -36.524
flat angles C4'-P-C4' energy: -30.675
flat angles P-C4'-P energy: -12.031
tors. eta vs tors. theta energy: -2.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -172.346469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.346469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.346469 (E_RNA)
where:
Base-Base interactions energy: -66.579
where: short stacking energy: -49.286
Base-Backbone interact. energy: 1.960
local terms energy: -107.727072
where:
bonds (distance) C4'-P energy: -38.973
bonds (distance) P-C4' energy: -35.092
flat angles C4'-P-C4' energy: -28.928
flat angles P-C4'-P energy: -17.644
tors. eta vs tors. theta energy: 12.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -181.223869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.223869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.223869 (E_RNA)
where:
Base-Base interactions energy: -78.770
where: short stacking energy: -67.972
Base-Backbone interact. energy: -1.272
local terms energy: -101.181821
where:
bonds (distance) C4'-P energy: -31.547
bonds (distance) P-C4' energy: -35.986
flat angles C4'-P-C4' energy: -24.791
flat angles P-C4'-P energy: -7.078
tors. eta vs tors. theta energy: -1.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -685.979426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.979426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.979426 (E_RNA)
where:
Base-Base interactions energy: -458.965
where: short stacking energy: -203.115
Base-Backbone interact. energy: -0.378
local terms energy: -226.635662
where:
bonds (distance) C4'-P energy: -41.974
bonds (distance) P-C4' energy: -41.587
flat angles C4'-P-C4' energy: -45.249
flat angles P-C4'-P energy: -29.962
tors. eta vs tors. theta energy: -67.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -672.898350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.898350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.898350 (E_RNA)
where:
Base-Base interactions energy: -449.423
where: short stacking energy: -212.291
Base-Backbone interact. energy: -1.083
local terms energy: -222.391701
where:
bonds (distance) C4'-P energy: -39.748
bonds (distance) P-C4' energy: -41.229
flat angles C4'-P-C4' energy: -46.236
flat angles P-C4'-P energy: -32.108
tors. eta vs tors. theta energy: -63.071
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: 7
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -602.357019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.357019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.357019 (E_RNA)
where:
Base-Base interactions energy: -397.002
where: short stacking energy: -186.048
Base-Backbone interact. energy: -0.193
local terms energy: -205.161560
where:
bonds (distance) C4'-P energy: -36.869
bonds (distance) P-C4' energy: -39.409
flat angles C4'-P-C4' energy: -45.489
flat angles P-C4'-P energy: -29.428
tors. eta vs tors. theta energy: -53.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -585.932216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.932216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.932216 (E_RNA)
where:
Base-Base interactions energy: -385.096
where: short stacking energy: -187.069
Base-Backbone interact. energy: -0.293
local terms energy: -200.543031
where:
bonds (distance) C4'-P energy: -34.900
bonds (distance) P-C4' energy: -39.505
flat angles C4'-P-C4' energy: -42.422
flat angles P-C4'-P energy: -28.763
tors. eta vs tors. theta energy: -54.953
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: 2
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -590.123331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.123331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.123331 (E_RNA)
where:
Base-Base interactions energy: -408.208
where: short stacking energy: -177.964
Base-Backbone interact. energy: -0.185
local terms energy: -181.729907
where:
bonds (distance) C4'-P energy: -34.779
bonds (distance) P-C4' energy: -28.384
flat angles C4'-P-C4' energy: -37.301
flat angles P-C4'-P energy: -26.243
tors. eta vs tors. theta energy: -55.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -560.554866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.554866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.554866 (E_RNA)
where:
Base-Base interactions energy: -363.259
where: short stacking energy: -172.033
Base-Backbone interact. energy: -0.393
local terms energy: -196.902285
where:
bonds (distance) C4'-P energy: -31.674
bonds (distance) P-C4' energy: -29.487
flat angles C4'-P-C4' energy: -47.049
flat angles P-C4'-P energy: -31.179
tors. eta vs tors. theta energy: -57.513
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: 7, replica: 10
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -212.964886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.964886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.964886 (E_RNA)
where:
Base-Base interactions energy: -73.286
where: short stacking energy: -59.564
Base-Backbone interact. energy: 0.335
local terms energy: -140.013732
where:
bonds (distance) C4'-P energy: -38.872
bonds (distance) P-C4' energy: -39.587
flat angles C4'-P-C4' energy: -37.669
flat angles P-C4'-P energy: -26.347
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: 8, replica: 1
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -186.807103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.807103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.807103 (E_RNA)
where:
Base-Base interactions energy: -60.046
where: short stacking energy: -58.178
Base-Backbone interact. energy: -0.652
local terms energy: -126.109109
where:
bonds (distance) C4'-P energy: -37.194
bonds (distance) P-C4' energy: -34.127
flat angles C4'-P-C4' energy: -39.309
flat angles P-C4'-P energy: -19.223
tors. eta vs tors. theta energy: 3.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -176.957924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.957924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.957924 (E_RNA)
where:
Base-Base interactions energy: -60.466
where: short stacking energy: -50.075
Base-Backbone interact. energy: -1.055
local terms energy: -115.437175
where:
bonds (distance) C4'-P energy: -31.762
bonds (distance) P-C4' energy: -37.708
flat angles C4'-P-C4' energy: -33.195
flat angles P-C4'-P energy: -15.603
tors. eta vs tors. theta energy: 2.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -215.316065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.316065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.316065 (E_RNA)
where:
Base-Base interactions energy: -70.402
where: short stacking energy: -64.767
Base-Backbone interact. energy: -0.484
local terms energy: -144.430557
where:
bonds (distance) C4'-P energy: -37.671
bonds (distance) P-C4' energy: -38.356
flat angles C4'-P-C4' energy: -36.123
flat angles P-C4'-P energy: -21.557
tors. eta vs tors. theta energy: -10.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -674.136797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.136797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.136797 (E_RNA)
where:
Base-Base interactions energy: -457.889
where: short stacking energy: -206.215
Base-Backbone interact. energy: 0.611
local terms energy: -216.858052
where:
bonds (distance) C4'-P energy: -32.858
bonds (distance) P-C4' energy: -46.591
flat angles C4'-P-C4' energy: -46.232
flat angles P-C4'-P energy: -26.989
tors. eta vs tors. theta energy: -64.187
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: 2, replica: 6
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -658.080079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.080079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.080079 (E_RNA)
where:
Base-Base interactions energy: -435.243
where: short stacking energy: -205.507
Base-Backbone interact. energy: -0.020
local terms energy: -222.817079
where:
bonds (distance) C4'-P energy: -47.475
bonds (distance) P-C4' energy: -36.071
flat angles C4'-P-C4' energy: -45.941
flat angles P-C4'-P energy: -29.577
tors. eta vs tors. theta energy: -63.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -598.188045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.188045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.188045 (E_RNA)
where:
Base-Base interactions energy: -388.994
where: short stacking energy: -200.620
Base-Backbone interact. energy: 0.097
local terms energy: -209.290537
where:
bonds (distance) C4'-P energy: -42.058
bonds (distance) P-C4' energy: -38.287
flat angles C4'-P-C4' energy: -38.870
flat angles P-C4'-P energy: -28.942
tors. eta vs tors. theta energy: -61.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -576.263507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.263507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.263507 (E_RNA)
where:
Base-Base interactions energy: -376.611
where: short stacking energy: -169.531
Base-Backbone interact. energy: -1.046
local terms energy: -198.606396
where:
bonds (distance) C4'-P energy: -41.699
bonds (distance) P-C4' energy: -33.075
flat angles C4'-P-C4' energy: -42.844
flat angles P-C4'-P energy: -25.097
tors. eta vs tors. theta energy: -55.891
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: 2
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -565.505342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.505342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.505342 (E_RNA)
where:
Base-Base interactions energy: -374.597
where: short stacking energy: -160.206
Base-Backbone interact. energy: -0.430
local terms energy: -190.479011
where:
bonds (distance) C4'-P energy: -37.070
bonds (distance) P-C4' energy: -39.771
flat angles C4'-P-C4' energy: -39.113
flat angles P-C4'-P energy: -25.722
tors. eta vs tors. theta energy: -48.802
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: 9
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -548.667877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.667877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.667877 (E_RNA)
where:
Base-Base interactions energy: -356.124
where: short stacking energy: -154.049
Base-Backbone interact. energy: -1.523
local terms energy: -191.021006
where:
bonds (distance) C4'-P energy: -35.754
bonds (distance) P-C4' energy: -40.527
flat angles C4'-P-C4' energy: -42.665
flat angles P-C4'-P energy: -21.992
tors. eta vs tors. theta energy: -50.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -206.405613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.405613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.405613 (E_RNA)
where:
Base-Base interactions energy: -60.891
where: short stacking energy: -55.748
Base-Backbone interact. energy: -1.841
local terms energy: -143.674252
where:
bonds (distance) C4'-P energy: -38.856
bonds (distance) P-C4' energy: -42.569
flat angles C4'-P-C4' energy: -34.121
flat angles P-C4'-P energy: -23.772
tors. eta vs tors. theta energy: -4.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -185.889994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.889994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.889994 (E_RNA)
where:
Base-Base interactions energy: -70.023
where: short stacking energy: -59.681
Base-Backbone interact. energy: -0.530
local terms energy: -115.337028
where:
bonds (distance) C4'-P energy: -30.618
bonds (distance) P-C4' energy: -31.227
flat angles C4'-P-C4' energy: -29.291
flat angles P-C4'-P energy: -24.332
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: 1
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -174.274125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.274125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.274125 (E_RNA)
where:
Base-Base interactions energy: -54.035
where: short stacking energy: -42.744
Base-Backbone interact. energy: 3.034
local terms energy: -123.272903
where:
bonds (distance) C4'-P energy: -32.464
bonds (distance) P-C4' energy: -38.893
flat angles C4'-P-C4' energy: -29.495
flat angles P-C4'-P energy: -24.485
tors. eta vs tors. theta energy: 2.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -181.719866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.719866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.719866 (E_RNA)
where:
Base-Base interactions energy: -67.105
where: short stacking energy: -49.205
Base-Backbone interact. energy: -1.031
local terms energy: -113.584352
where:
bonds (distance) C4'-P energy: -33.108
bonds (distance) P-C4' energy: -40.902
flat angles C4'-P-C4' energy: -25.688
flat angles P-C4'-P energy: -14.719
tors. eta vs tors. theta energy: 0.832
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: 1, replica: 6
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -662.523512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.523512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.523512 (E_RNA)
where:
Base-Base interactions energy: -443.415
where: short stacking energy: -199.053
Base-Backbone interact. energy: 1.693
local terms energy: -220.801600
where:
bonds (distance) C4'-P energy: -33.877
bonds (distance) P-C4' energy: -49.379
flat angles C4'-P-C4' energy: -45.243
flat angles P-C4'-P energy: -34.451
tors. eta vs tors. theta energy: -57.851
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: 4
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -670.212359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.212359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.212359 (E_RNA)
where:
Base-Base interactions energy: -457.799
where: short stacking energy: -210.153
Base-Backbone interact. energy: -0.599
local terms energy: -211.814815
where:
bonds (distance) C4'-P energy: -38.978
bonds (distance) P-C4' energy: -38.699
flat angles C4'-P-C4' energy: -42.043
flat angles P-C4'-P energy: -27.292
tors. eta vs tors. theta energy: -64.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -589.949030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.949030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.949030 (E_RNA)
where:
Base-Base interactions energy: -379.956
where: short stacking energy: -178.237
Base-Backbone interact. energy: -0.423
local terms energy: -209.569837
where:
bonds (distance) C4'-P energy: -39.041
bonds (distance) P-C4' energy: -39.931
flat angles C4'-P-C4' energy: -43.112
flat angles P-C4'-P energy: -33.868
tors. eta vs tors. theta energy: -53.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -591.216223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.216223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.216223 (E_RNA)
where:
Base-Base interactions energy: -391.268
where: short stacking energy: -188.402
Base-Backbone interact. energy: -0.204
local terms energy: -199.744354
where:
bonds (distance) C4'-P energy: -31.496
bonds (distance) P-C4' energy: -43.338
flat angles C4'-P-C4' energy: -40.152
flat angles P-C4'-P energy: -27.622
tors. eta vs tors. theta energy: -57.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -602.256447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.256447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.256447 (E_RNA)
where:
Base-Base interactions energy: -402.304
where: short stacking energy: -179.762
Base-Backbone interact. energy: 0.246
local terms energy: -200.198657
where:
bonds (distance) C4'-P energy: -38.544
bonds (distance) P-C4' energy: -38.290
flat angles C4'-P-C4' energy: -42.290
flat angles P-C4'-P energy: -25.960
tors. eta vs tors. theta energy: -55.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -536.473576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.473576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.473576 (E_RNA)
where:
Base-Base interactions energy: -349.506
where: short stacking energy: -180.882
Base-Backbone interact. energy: -0.028
local terms energy: -186.940250
where:
bonds (distance) C4'-P energy: -37.026
bonds (distance) P-C4' energy: -37.914
flat angles C4'-P-C4' energy: -33.181
flat angles P-C4'-P energy: -28.204
tors. eta vs tors. theta energy: -50.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -200.990267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.990267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.990267 (E_RNA)
where:
Base-Base interactions energy: -64.600
where: short stacking energy: -56.259
Base-Backbone interact. energy: -0.447
local terms energy: -135.943315
where:
bonds (distance) C4'-P energy: -32.801
bonds (distance) P-C4' energy: -39.386
flat angles C4'-P-C4' energy: -27.738
flat angles P-C4'-P energy: -33.021
tors. eta vs tors. theta energy: -2.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -192.147335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.147335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.147335 (E_RNA)
where:
Base-Base interactions energy: -74.678
where: short stacking energy: -60.021
Base-Backbone interact. energy: -0.051
local terms energy: -117.417661
where:
bonds (distance) C4'-P energy: -29.453
bonds (distance) P-C4' energy: -39.894
flat angles C4'-P-C4' energy: -31.496
flat angles P-C4'-P energy: -16.661
tors. eta vs tors. theta energy: 0.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -200.202380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.202380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.202380 (E_RNA)
where:
Base-Base interactions energy: -59.657
where: short stacking energy: -56.928
Base-Backbone interact. energy: -0.565
local terms energy: -139.979824
where:
bonds (distance) C4'-P energy: -35.073
bonds (distance) P-C4' energy: -40.586
flat angles C4'-P-C4' energy: -30.254
flat angles P-C4'-P energy: -24.432
tors. eta vs tors. theta energy: -9.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -182.161592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.161592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.161592 (E_RNA)
where:
Base-Base interactions energy: -85.165
where: short stacking energy: -47.184
Base-Backbone interact. energy: -0.161
local terms energy: -96.835083
where:
bonds (distance) C4'-P energy: -34.199
bonds (distance) P-C4' energy: -29.964
flat angles C4'-P-C4' energy: -28.983
flat angles P-C4'-P energy: -8.721
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: 1, replica: 6
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -669.910181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.910181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.910181 (E_RNA)
where:
Base-Base interactions energy: -441.028
where: short stacking energy: -205.504
Base-Backbone interact. energy: 0.003
local terms energy: -228.885222
where:
bonds (distance) C4'-P energy: -40.069
bonds (distance) P-C4' energy: -36.381
flat angles C4'-P-C4' energy: -48.979
flat angles P-C4'-P energy: -36.434
tors. eta vs tors. theta energy: -67.022
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: 4
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -658.105528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.105528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.105528 (E_RNA)
where:
Base-Base interactions energy: -444.134
where: short stacking energy: -200.748
Base-Backbone interact. energy: 1.125
local terms energy: -215.096457
where:
bonds (distance) C4'-P energy: -35.989
bonds (distance) P-C4' energy: -46.839
flat angles C4'-P-C4' energy: -39.971
flat angles P-C4'-P energy: -29.660
tors. eta vs tors. theta energy: -62.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -584.164989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.164989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.164989 (E_RNA)
where:
Base-Base interactions energy: -380.784
where: short stacking energy: -194.314
Base-Backbone interact. energy: -0.803
local terms energy: -202.577889
where:
bonds (distance) C4'-P energy: -44.714
bonds (distance) P-C4' energy: -30.383
flat angles C4'-P-C4' energy: -45.835
flat angles P-C4'-P energy: -25.165
tors. eta vs tors. theta energy: -56.481
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: 2
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -596.427847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.427847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.427847 (E_RNA)
where:
Base-Base interactions energy: -397.180
where: short stacking energy: -180.798
Base-Backbone interact. energy: -0.047
local terms energy: -199.200341
where:
bonds (distance) C4'-P energy: -38.781
bonds (distance) P-C4' energy: -33.032
flat angles C4'-P-C4' energy: -45.525
flat angles P-C4'-P energy: -30.302
tors. eta vs tors. theta energy: -51.560
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: 8
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -570.546881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.546881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.546881 (E_RNA)
where:
Base-Base interactions energy: -373.704
where: short stacking energy: -176.368
Base-Backbone interact. energy: -0.688
local terms energy: -196.155218
where:
bonds (distance) C4'-P energy: -36.571
bonds (distance) P-C4' energy: -41.507
flat angles C4'-P-C4' energy: -43.144
flat angles P-C4'-P energy: -21.329
tors. eta vs tors. theta energy: -53.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -521.188933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.188933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.188933 (E_RNA)
where:
Base-Base interactions energy: -338.119
where: short stacking energy: -170.445
Base-Backbone interact. energy: -0.447
local terms energy: -182.622895
where:
bonds (distance) C4'-P energy: -36.689
bonds (distance) P-C4' energy: -31.392
flat angles C4'-P-C4' energy: -38.475
flat angles P-C4'-P energy: -29.911
tors. eta vs tors. theta energy: -46.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -227.021477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.021477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.021477 (E_RNA)
where:
Base-Base interactions energy: -100.105
where: short stacking energy: -69.597
Base-Backbone interact. energy: -0.569
local terms energy: -126.347231
where:
bonds (distance) C4'-P energy: -38.621
bonds (distance) P-C4' energy: -35.134
flat angles C4'-P-C4' energy: -30.618
flat angles P-C4'-P energy: -20.206
tors. eta vs tors. theta energy: -1.767
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: 8, replica: 10
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -226.418314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.418314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.418314 (E_RNA)
where:
Base-Base interactions energy: -99.269
where: short stacking energy: -50.897
Base-Backbone interact. energy: -1.056
local terms energy: -126.092742
where:
bonds (distance) C4'-P energy: -36.845
bonds (distance) P-C4' energy: -38.878
flat angles C4'-P-C4' energy: -26.123
flat angles P-C4'-P energy: -25.596
tors. eta vs tors. theta energy: 1.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -190.791587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.791587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.791587 (E_RNA)
where:
Base-Base interactions energy: -60.571
where: short stacking energy: -58.881
Base-Backbone interact. energy: -0.405
local terms energy: -129.814799
where:
bonds (distance) C4'-P energy: -28.506
bonds (distance) P-C4' energy: -36.197
flat angles C4'-P-C4' energy: -34.153
flat angles P-C4'-P energy: -24.815
tors. eta vs tors. theta energy: -6.144
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: 1
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -178.999752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.999752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.999752 (E_RNA)
where:
Base-Base interactions energy: -61.362
where: short stacking energy: -46.691
Base-Backbone interact. energy: -1.721
local terms energy: -115.916811
where:
bonds (distance) C4'-P energy: -32.485
bonds (distance) P-C4' energy: -37.768
flat angles C4'-P-C4' energy: -24.362
flat angles P-C4'-P energy: -17.682
tors. eta vs tors. theta energy: -3.619
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: 4
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -683.948897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.948897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.948897 (E_RNA)
where:
Base-Base interactions energy: -462.653
where: short stacking energy: -210.885
Base-Backbone interact. energy: -0.398
local terms energy: -220.897297
where:
bonds (distance) C4'-P energy: -40.208
bonds (distance) P-C4' energy: -39.731
flat angles C4'-P-C4' energy: -48.997
flat angles P-C4'-P energy: -25.449
tors. eta vs tors. theta energy: -66.513
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: 6
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -669.908042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.908042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.908042 (E_RNA)
where:
Base-Base interactions energy: -440.956
where: short stacking energy: -206.828
Base-Backbone interact. energy: -0.531
local terms energy: -228.420780
where:
bonds (distance) C4'-P energy: -41.462
bonds (distance) P-C4' energy: -41.962
flat angles C4'-P-C4' energy: -46.909
flat angles P-C4'-P energy: -32.410
tors. eta vs tors. theta energy: -65.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -630.463035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.463035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.463035 (E_RNA)
where:
Base-Base interactions energy: -422.196
where: short stacking energy: -178.464
Base-Backbone interact. energy: -0.246
local terms energy: -208.021334
where:
bonds (distance) C4'-P energy: -38.808
bonds (distance) P-C4' energy: -44.084
flat angles C4'-P-C4' energy: -43.980
flat angles P-C4'-P energy: -25.835
tors. eta vs tors. theta energy: -55.315
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: 7
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -565.984778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.984778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.984778 (E_RNA)
where:
Base-Base interactions energy: -366.829
where: short stacking energy: -173.253
Base-Backbone interact. energy: -0.948
local terms energy: -198.207105
where:
bonds (distance) C4'-P energy: -33.694
bonds (distance) P-C4' energy: -38.496
flat angles C4'-P-C4' energy: -45.368
flat angles P-C4'-P energy: -28.607
tors. eta vs tors. theta energy: -52.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -523.113496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.113496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.113496 (E_RNA)
where:
Base-Base interactions energy: -330.541
where: short stacking energy: -158.649
Base-Backbone interact. energy: -0.390
local terms energy: -192.182240
where:
bonds (distance) C4'-P energy: -34.468
bonds (distance) P-C4' energy: -40.517
flat angles C4'-P-C4' energy: -44.732
flat angles P-C4'-P energy: -26.465
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: 6, replica: 8
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -529.044251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.044251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.044251 (E_RNA)
where:
Base-Base interactions energy: -344.444
where: short stacking energy: -170.089
Base-Backbone interact. energy: -0.726
local terms energy: -183.873993
where:
bonds (distance) C4'-P energy: -25.579
bonds (distance) P-C4' energy: -34.998
flat angles C4'-P-C4' energy: -43.571
flat angles P-C4'-P energy: -31.016
tors. eta vs tors. theta energy: -48.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -211.501357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.501357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.501357 (E_RNA)
where:
Base-Base interactions energy: -105.773
where: short stacking energy: -66.365
Base-Backbone interact. energy: -0.142
local terms energy: -105.585760
where:
bonds (distance) C4'-P energy: -34.203
bonds (distance) P-C4' energy: -31.136
flat angles C4'-P-C4' energy: -28.073
flat angles P-C4'-P energy: -14.391
tors. eta vs tors. theta energy: 2.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -232.634939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.634939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.634939 (E_RNA)
where:
Base-Base interactions energy: -118.965
where: short stacking energy: -61.198
Base-Backbone interact. energy: 0.835
local terms energy: -114.504464
where:
bonds (distance) C4'-P energy: -39.186
bonds (distance) P-C4' energy: -36.182
flat angles C4'-P-C4' energy: -30.391
flat angles P-C4'-P energy: -11.889
tors. eta vs tors. theta energy: 3.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -189.374418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.374418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.374418 (E_RNA)
where:
Base-Base interactions energy: -66.632
where: short stacking energy: -62.097
Base-Backbone interact. energy: -0.277
local terms energy: -122.465825
where:
bonds (distance) C4'-P energy: -32.737
bonds (distance) P-C4' energy: -39.492
flat angles C4'-P-C4' energy: -35.398
flat angles P-C4'-P energy: -12.473
tors. eta vs tors. theta energy: -2.366
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: 5
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -179.097761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.097761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.097761 (E_RNA)
where:
Base-Base interactions energy: -51.969
where: short stacking energy: -41.544
Base-Backbone interact. energy: 0.208
local terms energy: -127.337041
where:
bonds (distance) C4'-P energy: -38.417
bonds (distance) P-C4' energy: -35.671
flat angles C4'-P-C4' energy: -35.612
flat angles P-C4'-P energy: -22.023
tors. eta vs tors. theta energy: 4.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -666.073088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.073088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.073088 (E_RNA)
where:
Base-Base interactions energy: -439.658
where: short stacking energy: -203.482
Base-Backbone interact. energy: -0.952
local terms energy: -225.463219
where:
bonds (distance) C4'-P energy: -41.849
bonds (distance) P-C4' energy: -43.579
flat angles C4'-P-C4' energy: -45.434
flat angles P-C4'-P energy: -28.458
tors. eta vs tors. theta energy: -66.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -667.037895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.037895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.037895 (E_RNA)
where:
Base-Base interactions energy: -444.614
where: short stacking energy: -197.493
Base-Backbone interact. energy: -0.618
local terms energy: -221.805335
where:
bonds (distance) C4'-P energy: -31.273
bonds (distance) P-C4' energy: -48.443
flat angles C4'-P-C4' energy: -42.233
flat angles P-C4'-P energy: -32.790
tors. eta vs tors. theta energy: -67.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -640.932184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.932184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.932184 (E_RNA)
where:
Base-Base interactions energy: -432.495
where: short stacking energy: -196.909
Base-Backbone interact. energy: -0.130
local terms energy: -208.307459
where:
bonds (distance) C4'-P energy: -31.098
bonds (distance) P-C4' energy: -41.057
flat angles C4'-P-C4' energy: -41.192
flat angles P-C4'-P energy: -33.284
tors. eta vs tors. theta energy: -61.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -578.100933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.100933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.100933 (E_RNA)
where:
Base-Base interactions energy: -375.875
where: short stacking energy: -180.866
Base-Backbone interact. energy: -1.541
local terms energy: -200.684977
where:
bonds (distance) C4'-P energy: -36.094
bonds (distance) P-C4' energy: -39.765
flat angles C4'-P-C4' energy: -44.998
flat angles P-C4'-P energy: -26.207
tors. eta vs tors. theta energy: -53.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -570.173184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.173184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.173184 (E_RNA)
where:
Base-Base interactions energy: -372.482
where: short stacking energy: -183.426
Base-Backbone interact. energy: -0.017
local terms energy: -197.674031
where:
bonds (distance) C4'-P energy: -33.653
bonds (distance) P-C4' energy: -31.907
flat angles C4'-P-C4' energy: -42.840
flat angles P-C4'-P energy: -36.935
tors. eta vs tors. theta energy: -52.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -546.975038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.975038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.975038 (E_RNA)
where:
Base-Base interactions energy: -366.012
where: short stacking energy: -176.598
Base-Backbone interact. energy: -1.111
local terms energy: -179.852075
where:
bonds (distance) C4'-P energy: -37.306
bonds (distance) P-C4' energy: -34.625
flat angles C4'-P-C4' energy: -37.151
flat angles P-C4'-P energy: -25.381
tors. eta vs tors. theta energy: -45.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -199.305019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.305019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.305019 (E_RNA)
where:
Base-Base interactions energy: -71.771
where: short stacking energy: -62.278
Base-Backbone interact. energy: 0.313
local terms energy: -127.847831
where:
bonds (distance) C4'-P energy: -32.724
bonds (distance) P-C4' energy: -34.313
flat angles C4'-P-C4' energy: -36.935
flat angles P-C4'-P energy: -22.738
tors. eta vs tors. theta energy: -1.138
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: 1
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -215.390340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.390340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.390340 (E_RNA)
where:
Base-Base interactions energy: -77.894
where: short stacking energy: -63.979
Base-Backbone interact. energy: 1.154
local terms energy: -138.650489
where:
bonds (distance) C4'-P energy: -38.916
bonds (distance) P-C4' energy: -40.901
flat angles C4'-P-C4' energy: -37.028
flat angles P-C4'-P energy: -12.453
tors. eta vs tors. theta energy: -9.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -186.971641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.971641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.971641 (E_RNA)
where:
Base-Base interactions energy: -64.719
where: short stacking energy: -40.701
Base-Backbone interact. energy: 1.826
local terms energy: -124.078852
where:
bonds (distance) C4'-P energy: -42.290
bonds (distance) P-C4' energy: -37.069
flat angles C4'-P-C4' energy: -27.980
flat angles P-C4'-P energy: -20.622
tors. eta vs tors. theta energy: 3.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -202.788233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.788233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.788233 (E_RNA)
where:
Base-Base interactions energy: -78.996
where: short stacking energy: -67.303
Base-Backbone interact. energy: -0.411
local terms energy: -123.381475
where:
bonds (distance) C4'-P energy: -33.900
bonds (distance) P-C4' energy: -26.640
flat angles C4'-P-C4' energy: -37.427
flat angles P-C4'-P energy: -21.025
tors. eta vs tors. theta energy: -4.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -676.597857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.597857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.597857 (E_RNA)
where:
Base-Base interactions energy: -447.323
where: short stacking energy: -200.894
Base-Backbone interact. energy: 1.006
local terms energy: -230.280611
where:
bonds (distance) C4'-P energy: -41.220
bonds (distance) P-C4' energy: -42.510
flat angles C4'-P-C4' energy: -48.144
flat angles P-C4'-P energy: -31.093
tors. eta vs tors. theta energy: -67.314
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: 2, replica: 6
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -659.089443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.089443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.089443 (E_RNA)
where:
Base-Base interactions energy: -434.971
where: short stacking energy: -201.155
Base-Backbone interact. energy: -2.060
local terms energy: -222.058609
where:
bonds (distance) C4'-P energy: -37.278
bonds (distance) P-C4' energy: -44.877
flat angles C4'-P-C4' energy: -41.176
flat angles P-C4'-P energy: -34.837
tors. eta vs tors. theta energy: -63.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -640.420018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.420018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.420018 (E_RNA)
where:
Base-Base interactions energy: -427.691
where: short stacking energy: -181.049
Base-Backbone interact. energy: -0.381
local terms energy: -212.347392
where:
bonds (distance) C4'-P energy: -36.268
bonds (distance) P-C4' energy: -38.875
flat angles C4'-P-C4' energy: -46.432
flat angles P-C4'-P energy: -30.483
tors. eta vs tors. theta energy: -60.290
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: 7
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -572.729853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.729853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.729853 (E_RNA)
where:
Base-Base interactions energy: -370.673
where: short stacking energy: -168.652
Base-Backbone interact. energy: -1.383
local terms energy: -200.674484
where:
bonds (distance) C4'-P energy: -40.108
bonds (distance) P-C4' energy: -44.514
flat angles C4'-P-C4' energy: -43.370
flat angles P-C4'-P energy: -20.406
tors. eta vs tors. theta energy: -52.276
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: 5, replica: 9
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -559.811206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.811206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.811206 (E_RNA)
where:
Base-Base interactions energy: -364.264
where: short stacking energy: -170.550
Base-Backbone interact. energy: -0.587
local terms energy: -194.960749
where:
bonds (distance) C4'-P energy: -36.420
bonds (distance) P-C4' energy: -39.657
flat angles C4'-P-C4' energy: -40.922
flat angles P-C4'-P energy: -23.317
tors. eta vs tors. theta energy: -54.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -562.206790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.206790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.206790 (E_RNA)
where:
Base-Base interactions energy: -375.157
where: short stacking energy: -176.830
Base-Backbone interact. energy: 0.392
local terms energy: -187.441482
where:
bonds (distance) C4'-P energy: -34.787
bonds (distance) P-C4' energy: -39.336
flat angles C4'-P-C4' energy: -40.661
flat angles P-C4'-P energy: -25.523
tors. eta vs tors. theta energy: -47.136
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: 268
Temperature: 1.200000
Total energy: -219.791556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.791556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.791556 (E_RNA)
where:
Base-Base interactions energy: -92.907
where: short stacking energy: -58.917
Base-Backbone interact. energy: -0.243
local terms energy: -126.641902
where:
bonds (distance) C4'-P energy: -38.106
bonds (distance) P-C4' energy: -37.347
flat angles C4'-P-C4' energy: -29.242
flat angles P-C4'-P energy: -23.094
tors. eta vs tors. theta energy: 1.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -207.693358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.693358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.693358 (E_RNA)
where:
Base-Base interactions energy: -87.764
where: short stacking energy: -62.963
Base-Backbone interact. energy: -0.130
local terms energy: -119.799339
where:
bonds (distance) C4'-P energy: -33.607
bonds (distance) P-C4' energy: -40.666
flat angles C4'-P-C4' energy: -31.196
flat angles P-C4'-P energy: -10.474
tors. eta vs tors. theta energy: -3.857
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: 9, replica: 5
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -183.992402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.992402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.992402 (E_RNA)
where:
Base-Base interactions energy: -77.477
where: short stacking energy: -53.275
Base-Backbone interact. energy: -1.118
local terms energy: -105.397254
where:
bonds (distance) C4'-P energy: -29.985
bonds (distance) P-C4' energy: -31.444
flat angles C4'-P-C4' energy: -25.936
flat angles P-C4'-P energy: -16.265
tors. eta vs tors. theta energy: -1.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -169.645962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.645962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.645962 (E_RNA)
where:
Base-Base interactions energy: -52.530
where: short stacking energy: -35.863
Base-Backbone interact. energy: -1.767
local terms energy: -115.349411
where:
bonds (distance) C4'-P energy: -36.887
bonds (distance) P-C4' energy: -26.565
flat angles C4'-P-C4' energy: -36.526
flat angles P-C4'-P energy: -19.014
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: 1, replica: 4
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -677.943194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.943194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.943194 (E_RNA)
where:
Base-Base interactions energy: -447.454
where: short stacking energy: -208.085
Base-Backbone interact. energy: -0.829
local terms energy: -229.659941
where:
bonds (distance) C4'-P energy: -45.278
bonds (distance) P-C4' energy: -42.308
flat angles C4'-P-C4' energy: -47.341
flat angles P-C4'-P energy: -30.795
tors. eta vs tors. theta energy: -63.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -655.068557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.068557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.068557 (E_RNA)
where:
Base-Base interactions energy: -441.496
where: short stacking energy: -205.587
Base-Backbone interact. energy: -0.003
local terms energy: -213.568855
where:
bonds (distance) C4'-P energy: -42.054
bonds (distance) P-C4' energy: -33.828
flat angles C4'-P-C4' energy: -45.355
flat angles P-C4'-P energy: -26.395
tors. eta vs tors. theta energy: -65.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -615.831486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.831486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.831486 (E_RNA)
where:
Base-Base interactions energy: -406.094
where: short stacking energy: -188.283
Base-Backbone interact. energy: 0.514
local terms energy: -210.251679
where:
bonds (distance) C4'-P energy: -38.495
bonds (distance) P-C4' energy: -40.413
flat angles C4'-P-C4' energy: -45.352
flat angles P-C4'-P energy: -27.762
tors. eta vs tors. theta energy: -58.230
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: 7
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -578.908048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.908048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.908048 (E_RNA)
where:
Base-Base interactions energy: -364.289
where: short stacking energy: -169.799
Base-Backbone interact. energy: -1.061
local terms energy: -213.558413
where:
bonds (distance) C4'-P energy: -34.682
bonds (distance) P-C4' energy: -44.806
flat angles C4'-P-C4' energy: -46.099
flat angles P-C4'-P energy: -32.327
tors. eta vs tors. theta energy: -55.644
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: 9
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -576.002540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.002540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.002540 (E_RNA)
where:
Base-Base interactions energy: -382.800
where: short stacking energy: -182.232
Base-Backbone interact. energy: -0.085
local terms energy: -193.118393
where:
bonds (distance) C4'-P energy: -34.304
bonds (distance) P-C4' energy: -33.352
flat angles C4'-P-C4' energy: -42.822
flat angles P-C4'-P energy: -28.412
tors. eta vs tors. theta energy: -54.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -531.209364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.209364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.209364 (E_RNA)
where:
Base-Base interactions energy: -363.434
where: short stacking energy: -177.938
Base-Backbone interact. energy: 0.585
local terms energy: -168.361016
where:
bonds (distance) C4'-P energy: -21.386
bonds (distance) P-C4' energy: -35.668
flat angles C4'-P-C4' energy: -37.925
flat angles P-C4'-P energy: -23.253
tors. eta vs tors. theta energy: -50.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -265.077687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.077687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.077687 (E_RNA)
where:
Base-Base interactions energy: -129.103
where: short stacking energy: -60.888
Base-Backbone interact. energy: -2.498
local terms energy: -133.476384
where:
bonds (distance) C4'-P energy: -33.294
bonds (distance) P-C4' energy: -44.345
flat angles C4'-P-C4' energy: -30.512
flat angles P-C4'-P energy: -18.075
tors. eta vs tors. theta energy: -7.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -212.264021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.264021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.264021 (E_RNA)
where:
Base-Base interactions energy: -82.075
where: short stacking energy: -63.583
Base-Backbone interact. energy: 0.154
local terms energy: -130.342704
where:
bonds (distance) C4'-P energy: -38.277
bonds (distance) P-C4' energy: -33.845
flat angles C4'-P-C4' energy: -27.665
flat angles P-C4'-P energy: -27.199
tors. eta vs tors. theta energy: -3.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -167.734508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.734508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.734508 (E_RNA)
where:
Base-Base interactions energy: -63.171
where: short stacking energy: -38.863
Base-Backbone interact. energy: -1.458
local terms energy: -103.105326
where:
bonds (distance) C4'-P energy: -27.697
bonds (distance) P-C4' energy: -30.748
flat angles C4'-P-C4' energy: -32.889
flat angles P-C4'-P energy: -22.564
tors. eta vs tors. theta energy: 10.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -166.099082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.099082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.099082 (E_RNA)
where:
Base-Base interactions energy: -46.795
where: short stacking energy: -46.262
Base-Backbone interact. energy: -0.022
local terms energy: -119.282344
where:
bonds (distance) C4'-P energy: -36.396
bonds (distance) P-C4' energy: -29.392
flat angles C4'-P-C4' energy: -34.675
flat angles P-C4'-P energy: -22.790
tors. eta vs tors. theta energy: 3.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -668.147579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.147579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.147579 (E_RNA)
where:
Base-Base interactions energy: -443.172
where: short stacking energy: -205.728
Base-Backbone interact. energy: -0.218
local terms energy: -224.757985
where:
bonds (distance) C4'-P energy: -40.171
bonds (distance) P-C4' energy: -39.218
flat angles C4'-P-C4' energy: -48.899
flat angles P-C4'-P energy: -32.280
tors. eta vs tors. theta energy: -64.189
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: 4
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -652.592995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.592995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.592995 (E_RNA)
where:
Base-Base interactions energy: -429.103
where: short stacking energy: -198.020
Base-Backbone interact. energy: -0.708
local terms energy: -222.781772
where:
bonds (distance) C4'-P energy: -41.724
bonds (distance) P-C4' energy: -40.614
flat angles C4'-P-C4' energy: -44.580
flat angles P-C4'-P energy: -33.589
tors. eta vs tors. theta energy: -62.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -609.167531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.167531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.167531 (E_RNA)
where:
Base-Base interactions energy: -407.781
where: short stacking energy: -197.150
Base-Backbone interact. energy: -0.042
local terms energy: -201.344419
where:
bonds (distance) C4'-P energy: -33.327
bonds (distance) P-C4' energy: -32.543
flat angles C4'-P-C4' energy: -46.116
flat angles P-C4'-P energy: -29.710
tors. eta vs tors. theta energy: -59.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -599.139185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.139185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.139185 (E_RNA)
where:
Base-Base interactions energy: -399.687
where: short stacking energy: -183.978
Base-Backbone interact. energy: -0.244
local terms energy: -199.208611
where:
bonds (distance) C4'-P energy: -31.321
bonds (distance) P-C4' energy: -44.711
flat angles C4'-P-C4' energy: -40.257
flat angles P-C4'-P energy: -26.528
tors. eta vs tors. theta energy: -56.393
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: 8
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -565.066540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.066540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.066540 (E_RNA)
where:
Base-Base interactions energy: -358.686
where: short stacking energy: -177.270
Base-Backbone interact. energy: -1.244
local terms energy: -205.136299
where:
bonds (distance) C4'-P energy: -37.618
bonds (distance) P-C4' energy: -36.139
flat angles C4'-P-C4' energy: -44.443
flat angles P-C4'-P energy: -30.447
tors. eta vs tors. theta energy: -56.489
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: 6, replica: 9
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -542.974545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.974545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.974545 (E_RNA)
where:
Base-Base interactions energy: -355.734
where: short stacking energy: -163.091
Base-Backbone interact. energy: -0.027
local terms energy: -187.213664
where:
bonds (distance) C4'-P energy: -38.898
bonds (distance) P-C4' energy: -42.084
flat angles C4'-P-C4' energy: -34.433
flat angles P-C4'-P energy: -25.580
tors. eta vs tors. theta energy: -46.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -342.057409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.057409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.057409 (E_RNA)
where:
Base-Base interactions energy: -214.015
where: short stacking energy: -106.282
Base-Backbone interact. energy: 1.021
local terms energy: -129.063273
where:
bonds (distance) C4'-P energy: -35.464
bonds (distance) P-C4' energy: -24.663
flat angles C4'-P-C4' energy: -36.522
flat angles P-C4'-P energy: -13.568
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: 8, replica: 10
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -249.554400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.554400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.554400 (E_RNA)
where:
Base-Base interactions energy: -125.494
where: short stacking energy: -65.489
Base-Backbone interact. energy: -0.524
local terms energy: -123.536713
where:
bonds (distance) C4'-P energy: -35.528
bonds (distance) P-C4' energy: -36.389
flat angles C4'-P-C4' energy: -28.801
flat angles P-C4'-P energy: -19.999
tors. eta vs tors. theta energy: -2.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -195.865786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.865786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.865786 (E_RNA)
where:
Base-Base interactions energy: -66.741
where: short stacking energy: -46.213
Base-Backbone interact. energy: -0.304
local terms energy: -128.820835
where:
bonds (distance) C4'-P energy: -36.574
bonds (distance) P-C4' energy: -42.150
flat angles C4'-P-C4' energy: -25.662
flat angles P-C4'-P energy: -23.429
tors. eta vs tors. theta energy: -1.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -174.868942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.868942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.868942 (E_RNA)
where:
Base-Base interactions energy: -65.138
where: short stacking energy: -52.116
Base-Backbone interact. energy: -0.208
local terms energy: -109.522987
where:
bonds (distance) C4'-P energy: -28.710
bonds (distance) P-C4' energy: -36.374
flat angles C4'-P-C4' energy: -29.764
flat angles P-C4'-P energy: -13.803
tors. eta vs tors. theta energy: -0.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -678.790559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.790559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.790559 (E_RNA)
where:
Base-Base interactions energy: -460.038
where: short stacking energy: -205.318
Base-Backbone interact. energy: -0.008
local terms energy: -218.744000
where:
bonds (distance) C4'-P energy: -37.024
bonds (distance) P-C4' energy: -42.324
flat angles C4'-P-C4' energy: -45.812
flat angles P-C4'-P energy: -29.237
tors. eta vs tors. theta energy: -64.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -637.728505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.728505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.728505 (E_RNA)
where:
Base-Base interactions energy: -426.662
where: short stacking energy: -187.060
Base-Backbone interact. energy: -0.605
local terms energy: -210.461381
where:
bonds (distance) C4'-P energy: -36.778
bonds (distance) P-C4' energy: -45.345
flat angles C4'-P-C4' energy: -42.675
flat angles P-C4'-P energy: -29.743
tors. eta vs tors. theta energy: -55.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -597.768317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.768317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.768317 (E_RNA)
where:
Base-Base interactions energy: -385.925
where: short stacking energy: -179.724
Base-Backbone interact. energy: -0.246
local terms energy: -211.597221
where:
bonds (distance) C4'-P energy: -34.404
bonds (distance) P-C4' energy: -40.040
flat angles C4'-P-C4' energy: -45.113
flat angles P-C4'-P energy: -33.362
tors. eta vs tors. theta energy: -58.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -579.513958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.513958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.513958 (E_RNA)
where:
Base-Base interactions energy: -388.712
where: short stacking energy: -169.085
Base-Backbone interact. energy: -0.802
local terms energy: -189.999856
where:
bonds (distance) C4'-P energy: -35.090
bonds (distance) P-C4' energy: -35.030
flat angles C4'-P-C4' energy: -37.036
flat angles P-C4'-P energy: -34.398
tors. eta vs tors. theta energy: -48.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -588.877761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.877761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.877761 (E_RNA)
where:
Base-Base interactions energy: -391.627
where: short stacking energy: -198.899
Base-Backbone interact. energy: -0.314
local terms energy: -196.936528
where:
bonds (distance) C4'-P energy: -30.275
bonds (distance) P-C4' energy: -36.649
flat angles C4'-P-C4' energy: -41.449
flat angles P-C4'-P energy: -29.976
tors. eta vs tors. theta energy: -58.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -540.664573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.664573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.664573 (E_RNA)
where:
Base-Base interactions energy: -357.552
where: short stacking energy: -163.913
Base-Backbone interact. energy: -0.827
local terms energy: -182.285393
where:
bonds (distance) C4'-P energy: -31.522
bonds (distance) P-C4' energy: -34.596
flat angles C4'-P-C4' energy: -35.059
flat angles P-C4'-P energy: -28.476
tors. eta vs tors. theta energy: -52.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -325.182656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.182656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.182656 (E_RNA)
where:
Base-Base interactions energy: -189.125
where: short stacking energy: -85.193
Base-Backbone interact. energy: -2.254
local terms energy: -133.803677
where:
bonds (distance) C4'-P energy: -37.163
bonds (distance) P-C4' energy: -30.907
flat angles C4'-P-C4' energy: -33.431
flat angles P-C4'-P energy: -14.393
tors. eta vs tors. theta energy: -17.909
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: 10
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -233.816027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.816027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.816027 (E_RNA)
where:
Base-Base interactions energy: -117.835
where: short stacking energy: -69.899
Base-Backbone interact. energy: 0.855
local terms energy: -116.836081
where:
bonds (distance) C4'-P energy: -35.184
bonds (distance) P-C4' energy: -31.685
flat angles C4'-P-C4' energy: -32.935
flat angles P-C4'-P energy: -15.356
tors. eta vs tors. theta energy: -1.676
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: 9, replica: 3
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -187.916433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.916433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.916433 (E_RNA)
where:
Base-Base interactions energy: -78.490
where: short stacking energy: -59.490
Base-Backbone interact. energy: -0.512
local terms energy: -108.913849
where:
bonds (distance) C4'-P energy: -26.849
bonds (distance) P-C4' energy: -33.251
flat angles C4'-P-C4' energy: -30.773
flat angles P-C4'-P energy: -15.410
tors. eta vs tors. theta energy: -2.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -166.168551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.168551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.168551 (E_RNA)
where:
Base-Base interactions energy: -55.792
where: short stacking energy: -55.419
Base-Backbone interact. energy: -0.777
local terms energy: -109.599173
where:
bonds (distance) C4'-P energy: -34.041
bonds (distance) P-C4' energy: -37.550
flat angles C4'-P-C4' energy: -23.259
flat angles P-C4'-P energy: -7.430
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: 4
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -666.449796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.449796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.449796 (E_RNA)
where:
Base-Base interactions energy: -456.378
where: short stacking energy: -213.889
Base-Backbone interact. energy: 0.527
local terms energy: -210.598360
where:
bonds (distance) C4'-P energy: -40.955
bonds (distance) P-C4' energy: -33.179
flat angles C4'-P-C4' energy: -39.805
flat angles P-C4'-P energy: -30.164
tors. eta vs tors. theta energy: -66.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -670.879557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.879557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.879557 (E_RNA)
where:
Base-Base interactions energy: -457.408
where: short stacking energy: -214.362
Base-Backbone interact. energy: -0.191
local terms energy: -213.280334
where:
bonds (distance) C4'-P energy: -38.287
bonds (distance) P-C4' energy: -42.817
flat angles C4'-P-C4' energy: -40.139
flat angles P-C4'-P energy: -29.545
tors. eta vs tors. theta energy: -62.493
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: 3, replica: 7
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -601.453465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.453465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.453465 (E_RNA)
where:
Base-Base interactions energy: -391.246
where: short stacking energy: -186.964
Base-Backbone interact. energy: 0.696
local terms energy: -210.903721
where:
bonds (distance) C4'-P energy: -33.577
bonds (distance) P-C4' energy: -42.665
flat angles C4'-P-C4' energy: -43.095
flat angles P-C4'-P energy: -33.780
tors. eta vs tors. theta energy: -57.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -613.853190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.853190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.853190 (E_RNA)
where:
Base-Base interactions energy: -406.181
where: short stacking energy: -167.408
Base-Backbone interact. energy: -0.210
local terms energy: -207.462615
where:
bonds (distance) C4'-P energy: -35.590
bonds (distance) P-C4' energy: -42.291
flat angles C4'-P-C4' energy: -42.403
flat angles P-C4'-P energy: -29.603
tors. eta vs tors. theta energy: -57.576
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: 8
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -613.050880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.050880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.050880 (E_RNA)
where:
Base-Base interactions energy: -393.271
where: short stacking energy: -179.445
Base-Backbone interact. energy: -2.168
local terms energy: -217.611699
where:
bonds (distance) C4'-P energy: -38.076
bonds (distance) P-C4' energy: -40.451
flat angles C4'-P-C4' energy: -42.879
flat angles P-C4'-P energy: -34.922
tors. eta vs tors. theta energy: -61.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -532.091614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.091614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.091614 (E_RNA)
where:
Base-Base interactions energy: -339.630
where: short stacking energy: -143.938
Base-Backbone interact. energy: -0.140
local terms energy: -192.320919
where:
bonds (distance) C4'-P energy: -39.314
bonds (distance) P-C4' energy: -36.689
flat angles C4'-P-C4' energy: -37.301
flat angles P-C4'-P energy: -31.326
tors. eta vs tors. theta energy: -47.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -218.964876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.964876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.964876 (E_RNA)
where:
Base-Base interactions energy: -83.657
where: short stacking energy: -73.013
Base-Backbone interact. energy: -0.425
local terms energy: -134.883760
where:
bonds (distance) C4'-P energy: -36.050
bonds (distance) P-C4' energy: -30.078
flat angles C4'-P-C4' energy: -39.747
flat angles P-C4'-P energy: -17.157
tors. eta vs tors. theta energy: -11.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -267.526330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.526330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.526330 (E_RNA)
where:
Base-Base interactions energy: -116.786
where: short stacking energy: -73.672
Base-Backbone interact. energy: 0.083
local terms energy: -150.823322
where:
bonds (distance) C4'-P energy: -38.122
bonds (distance) P-C4' energy: -38.543
flat angles C4'-P-C4' energy: -28.858
flat angles P-C4'-P energy: -28.604
tors. eta vs tors. theta energy: -16.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -191.069007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.069007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.069007 (E_RNA)
where:
Base-Base interactions energy: -68.059
where: short stacking energy: -57.318
Base-Backbone interact. energy: -0.797
local terms energy: -122.212975
where:
bonds (distance) C4'-P energy: -35.109
bonds (distance) P-C4' energy: -29.777
flat angles C4'-P-C4' energy: -33.677
flat angles P-C4'-P energy: -21.961
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: 10, replica: 5
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -171.239222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.239222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.239222 (E_RNA)
where:
Base-Base interactions energy: -66.149
where: short stacking energy: -36.205
Base-Backbone interact. energy: 0.171
local terms energy: -105.260839
where:
bonds (distance) C4'-P energy: -32.399
bonds (distance) P-C4' energy: -37.904
flat angles C4'-P-C4' energy: -32.268
flat angles P-C4'-P energy: -15.228
tors. eta vs tors. theta energy: 12.537
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: 4
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -668.333472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.333472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.333472 (E_RNA)
where:
Base-Base interactions energy: -447.041
where: short stacking energy: -216.587
Base-Backbone interact. energy: 0.081
local terms energy: -221.373304
where:
bonds (distance) C4'-P energy: -35.644
bonds (distance) P-C4' energy: -40.276
flat angles C4'-P-C4' energy: -49.317
flat angles P-C4'-P energy: -30.492
tors. eta vs tors. theta energy: -65.644
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: 6
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -655.158927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.158927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.158927 (E_RNA)
where:
Base-Base interactions energy: -430.622
where: short stacking energy: -197.520
Base-Backbone interact. energy: -0.960
local terms energy: -223.577176
where:
bonds (distance) C4'-P energy: -42.443
bonds (distance) P-C4' energy: -40.325
flat angles C4'-P-C4' energy: -48.023
flat angles P-C4'-P energy: -25.128
tors. eta vs tors. theta energy: -67.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -591.574927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.574927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.574927 (E_RNA)
where:
Base-Base interactions energy: -373.307
where: short stacking energy: -181.727
Base-Backbone interact. energy: -1.046
local terms energy: -217.222595
where:
bonds (distance) C4'-P energy: -40.954
bonds (distance) P-C4' energy: -40.622
flat angles C4'-P-C4' energy: -49.363
flat angles P-C4'-P energy: -29.474
tors. eta vs tors. theta energy: -56.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -599.043914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.043914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.043914 (E_RNA)
where:
Base-Base interactions energy: -410.198
where: short stacking energy: -183.890
Base-Backbone interact. energy: 2.724
local terms energy: -191.569835
where:
bonds (distance) C4'-P energy: -31.065
bonds (distance) P-C4' energy: -34.677
flat angles C4'-P-C4' energy: -45.009
flat angles P-C4'-P energy: -25.818
tors. eta vs tors. theta energy: -55.000
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: 8
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -593.455532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.455532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.455532 (E_RNA)
where:
Base-Base interactions energy: -392.061
where: short stacking energy: -174.992
Base-Backbone interact. energy: -0.392
local terms energy: -201.002580
where:
bonds (distance) C4'-P energy: -40.027
bonds (distance) P-C4' energy: -31.355
flat angles C4'-P-C4' energy: -43.684
flat angles P-C4'-P energy: -30.358
tors. eta vs tors. theta energy: -55.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -519.233636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.233636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.233636 (E_RNA)
where:
Base-Base interactions energy: -330.200
where: short stacking energy: -165.827
Base-Backbone interact. energy: -0.140
local terms energy: -188.893979
where:
bonds (distance) C4'-P energy: -38.430
bonds (distance) P-C4' energy: -39.913
flat angles C4'-P-C4' energy: -36.163
flat angles P-C4'-P energy: -25.743
tors. eta vs tors. theta energy: -48.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -272.216835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.216835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.216835 (E_RNA)
where:
Base-Base interactions energy: -135.557
where: short stacking energy: -67.550
Base-Backbone interact. energy: 3.062
local terms energy: -139.721644
where:
bonds (distance) C4'-P energy: -31.700
bonds (distance) P-C4' energy: -37.251
flat angles C4'-P-C4' energy: -36.705
flat angles P-C4'-P energy: -26.701
tors. eta vs tors. theta energy: -7.363
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: 1
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -251.303121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.303121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.303121 (E_RNA)
where:
Base-Base interactions energy: -122.496
where: short stacking energy: -59.590
Base-Backbone interact. energy: -0.173
local terms energy: -128.634190
where:
bonds (distance) C4'-P energy: -31.785
bonds (distance) P-C4' energy: -33.005
flat angles C4'-P-C4' energy: -35.501
flat angles P-C4'-P energy: -18.705
tors. eta vs tors. theta energy: -9.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -165.156608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.156608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.156608 (E_RNA)
where:
Base-Base interactions energy: -47.959
where: short stacking energy: -38.795
Base-Backbone interact. energy: 1.818
local terms energy: -119.015751
where:
bonds (distance) C4'-P energy: -32.183
bonds (distance) P-C4' energy: -28.449
flat angles C4'-P-C4' energy: -34.332
flat angles P-C4'-P energy: -22.702
tors. eta vs tors. theta energy: -1.350
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: 10, replica: 5
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -175.421366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.421366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.421366 (E_RNA)
where:
Base-Base interactions energy: -75.479
where: short stacking energy: -33.407
Base-Backbone interact. energy: -1.028
local terms energy: -98.914276
where:
bonds (distance) C4'-P energy: -39.057
bonds (distance) P-C4' energy: -30.267
flat angles C4'-P-C4' energy: -31.063
flat angles P-C4'-P energy: -11.929
tors. eta vs tors. theta energy: 13.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -657.106674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.106674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.106674 (E_RNA)
where:
Base-Base interactions energy: -438.510
where: short stacking energy: -194.007
Base-Backbone interact. energy: -0.053
local terms energy: -218.543565
where:
bonds (distance) C4'-P energy: -42.526
bonds (distance) P-C4' energy: -40.377
flat angles C4'-P-C4' energy: -44.316
flat angles P-C4'-P energy: -27.699
tors. eta vs tors. theta energy: -63.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -663.093128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.093128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.093128 (E_RNA)
where:
Base-Base interactions energy: -443.191
where: short stacking energy: -201.068
Base-Backbone interact. energy: -0.865
local terms energy: -219.036493
where:
bonds (distance) C4'-P energy: -39.436
bonds (distance) P-C4' energy: -39.751
flat angles C4'-P-C4' energy: -43.384
flat angles P-C4'-P energy: -31.646
tors. eta vs tors. theta energy: -64.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -605.295572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.295572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.295572 (E_RNA)
where:
Base-Base interactions energy: -401.874
where: short stacking energy: -187.493
Base-Backbone interact. energy: 0.493
local terms energy: -203.915454
where:
bonds (distance) C4'-P energy: -38.929
bonds (distance) P-C4' energy: -37.277
flat angles C4'-P-C4' energy: -45.278
flat angles P-C4'-P energy: -27.617
tors. eta vs tors. theta energy: -54.814
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: 7
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -574.595606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.595606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.595606 (E_RNA)
where:
Base-Base interactions energy: -365.259
where: short stacking energy: -176.455
Base-Backbone interact. energy: 1.048
local terms energy: -210.385487
where:
bonds (distance) C4'-P energy: -41.734
bonds (distance) P-C4' energy: -36.462
flat angles C4'-P-C4' energy: -42.444
flat angles P-C4'-P energy: -31.372
tors. eta vs tors. theta energy: -58.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -571.484186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.484186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.484186 (E_RNA)
where:
Base-Base interactions energy: -382.821
where: short stacking energy: -178.824
Base-Backbone interact. energy: -0.209
local terms energy: -188.454295
where:
bonds (distance) C4'-P energy: -33.522
bonds (distance) P-C4' energy: -39.112
flat angles C4'-P-C4' energy: -33.978
flat angles P-C4'-P energy: -22.673
tors. eta vs tors. theta energy: -59.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -498.412407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.412407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.412407 (E_RNA)
where:
Base-Base interactions energy: -312.506
where: short stacking energy: -149.715
Base-Backbone interact. energy: -0.878
local terms energy: -185.028570
where:
bonds (distance) C4'-P energy: -31.107
bonds (distance) P-C4' energy: -39.542
flat angles C4'-P-C4' energy: -41.247
flat angles P-C4'-P energy: -27.775
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: 7, replica: 1
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -278.246770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.246770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.246770 (E_RNA)
where:
Base-Base interactions energy: -146.769
where: short stacking energy: -96.992
Base-Backbone interact. energy: -0.199
local terms energy: -131.279618
where:
bonds (distance) C4'-P energy: -35.985
bonds (distance) P-C4' energy: -37.546
flat angles C4'-P-C4' energy: -31.629
flat angles P-C4'-P energy: -11.167
tors. eta vs tors. theta energy: -14.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -269.031397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.031397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.031397 (E_RNA)
where:
Base-Base interactions energy: -134.719
where: short stacking energy: -76.507
Base-Backbone interact. energy: -1.196
local terms energy: -133.116293
where:
bonds (distance) C4'-P energy: -33.698
bonds (distance) P-C4' energy: -42.720
flat angles C4'-P-C4' energy: -30.133
flat angles P-C4'-P energy: -19.261
tors. eta vs tors. theta energy: -7.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -241.995338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.995338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.995338 (E_RNA)
where:
Base-Base interactions energy: -103.166
where: short stacking energy: -48.694
Base-Backbone interact. energy: -0.842
local terms energy: -137.987494
where:
bonds (distance) C4'-P energy: -36.639
bonds (distance) P-C4' energy: -41.610
flat angles C4'-P-C4' energy: -32.123
flat angles P-C4'-P energy: -19.538
tors. eta vs tors. theta energy: -8.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -167.184284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.184284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.184284 (E_RNA)
where:
Base-Base interactions energy: -56.127
where: short stacking energy: -43.348
Base-Backbone interact. energy: 0.655
local terms energy: -111.712289
where:
bonds (distance) C4'-P energy: -26.983
bonds (distance) P-C4' energy: -31.721
flat angles C4'-P-C4' energy: -38.081
flat angles P-C4'-P energy: -16.598
tors. eta vs tors. theta energy: 1.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -668.443815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.443815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.443815 (E_RNA)
where:
Base-Base interactions energy: -434.512
where: short stacking energy: -203.382
Base-Backbone interact. energy: -0.078
local terms energy: -233.853400
where:
bonds (distance) C4'-P energy: -38.716
bonds (distance) P-C4' energy: -44.130
flat angles C4'-P-C4' energy: -50.381
flat angles P-C4'-P energy: -31.458
tors. eta vs tors. theta energy: -69.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -665.361354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.361354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.361354 (E_RNA)
where:
Base-Base interactions energy: -447.939
where: short stacking energy: -204.483
Base-Backbone interact. energy: -0.197
local terms energy: -217.225024
where:
bonds (distance) C4'-P energy: -38.865
bonds (distance) P-C4' energy: -42.188
flat angles C4'-P-C4' energy: -42.473
flat angles P-C4'-P energy: -30.340
tors. eta vs tors. theta energy: -63.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -624.934572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.934572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.934572 (E_RNA)
where:
Base-Base interactions energy: -423.718
where: short stacking energy: -179.444
Base-Backbone interact. energy: -0.702
local terms energy: -200.514848
where:
bonds (distance) C4'-P energy: -39.759
bonds (distance) P-C4' energy: -32.618
flat angles C4'-P-C4' energy: -41.421
flat angles P-C4'-P energy: -28.261
tors. eta vs tors. theta energy: -58.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -580.434667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.434667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.434667 (E_RNA)
where:
Base-Base interactions energy: -383.580
where: short stacking energy: -172.414
Base-Backbone interact. energy: -0.265
local terms energy: -196.589346
where:
bonds (distance) C4'-P energy: -37.965
bonds (distance) P-C4' energy: -32.803
flat angles C4'-P-C4' energy: -41.852
flat angles P-C4'-P energy: -25.881
tors. eta vs tors. theta energy: -58.089
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: 7
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -541.671021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.671021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.671021 (E_RNA)
where:
Base-Base interactions energy: -349.297
where: short stacking energy: -154.064
Base-Backbone interact. energy: -0.915
local terms energy: -191.459373
where:
bonds (distance) C4'-P energy: -37.724
bonds (distance) P-C4' energy: -43.061
flat angles C4'-P-C4' energy: -40.436
flat angles P-C4'-P energy: -26.473
tors. eta vs tors. theta energy: -43.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -523.210215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.210215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.210215 (E_RNA)
where:
Base-Base interactions energy: -326.992
where: short stacking energy: -137.781
Base-Backbone interact. energy: 0.481
local terms energy: -196.699434
where:
bonds (distance) C4'-P energy: -41.397
bonds (distance) P-C4' energy: -38.635
flat angles C4'-P-C4' energy: -45.127
flat angles P-C4'-P energy: -25.138
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: 7, replica: 1
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -209.950255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.950255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.950255 (E_RNA)
where:
Base-Base interactions energy: -77.591
where: short stacking energy: -34.146
Base-Backbone interact. energy: 0.532
local terms energy: -132.890650
where:
bonds (distance) C4'-P energy: -36.626
bonds (distance) P-C4' energy: -41.557
flat angles C4'-P-C4' energy: -31.115
flat angles P-C4'-P energy: -24.371
tors. eta vs tors. theta energy: 0.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -245.683966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.683966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.683966 (E_RNA)
where:
Base-Base interactions energy: -118.805
where: short stacking energy: -70.926
Base-Backbone interact. energy: -0.925
local terms energy: -125.953873
where:
bonds (distance) C4'-P energy: -27.585
bonds (distance) P-C4' energy: -35.368
flat angles C4'-P-C4' energy: -22.027
flat angles P-C4'-P energy: -25.999
tors. eta vs tors. theta energy: -14.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -210.222822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.222822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.222822 (E_RNA)
where:
Base-Base interactions energy: -87.738
where: short stacking energy: -39.416
Base-Backbone interact. energy: 0.535
local terms energy: -123.020281
where:
bonds (distance) C4'-P energy: -29.367
bonds (distance) P-C4' energy: -42.397
flat angles C4'-P-C4' energy: -35.602
flat angles P-C4'-P energy: -18.360
tors. eta vs tors. theta energy: 2.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -182.690319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.690319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.690319 (E_RNA)
where:
Base-Base interactions energy: -47.134
where: short stacking energy: -41.392
Base-Backbone interact. energy: -1.289
local terms energy: -134.266734
where:
bonds (distance) C4'-P energy: -36.762
bonds (distance) P-C4' energy: -37.471
flat angles C4'-P-C4' energy: -31.461
flat angles P-C4'-P energy: -26.558
tors. eta vs tors. theta energy: -2.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -685.271065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.271065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.271065 (E_RNA)
where:
Base-Base interactions energy: -459.944
where: short stacking energy: -220.111
Base-Backbone interact. energy: -0.392
local terms energy: -224.934602
where:
bonds (distance) C4'-P energy: -40.882
bonds (distance) P-C4' energy: -45.590
flat angles C4'-P-C4' energy: -41.543
flat angles P-C4'-P energy: -35.280
tors. eta vs tors. theta energy: -61.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -663.842364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.842364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.842364 (E_RNA)
where:
Base-Base interactions energy: -433.950
where: short stacking energy: -197.009
Base-Backbone interact. energy: -0.292
local terms energy: -229.600529
where:
bonds (distance) C4'-P energy: -40.015
bonds (distance) P-C4' energy: -45.943
flat angles C4'-P-C4' energy: -45.281
flat angles P-C4'-P energy: -32.510
tors. eta vs tors. theta energy: -65.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -625.088834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.088834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.088834 (E_RNA)
where:
Base-Base interactions energy: -423.888
where: short stacking energy: -183.792
Base-Backbone interact. energy: 1.615
local terms energy: -202.816196
where:
bonds (distance) C4'-P energy: -35.297
bonds (distance) P-C4' energy: -42.354
flat angles C4'-P-C4' energy: -44.849
flat angles P-C4'-P energy: -23.563
tors. eta vs tors. theta energy: -56.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -579.779720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.779720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.779720 (E_RNA)
where:
Base-Base interactions energy: -374.516
where: short stacking energy: -190.197
Base-Backbone interact. energy: -0.350
local terms energy: -204.913817
where:
bonds (distance) C4'-P energy: -42.109
bonds (distance) P-C4' energy: -37.424
flat angles C4'-P-C4' energy: -44.385
flat angles P-C4'-P energy: -27.075
tors. eta vs tors. theta energy: -53.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -557.121656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.121656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.121656 (E_RNA)
where:
Base-Base interactions energy: -371.670
where: short stacking energy: -178.206
Base-Backbone interact. energy: -0.049
local terms energy: -185.402200
where:
bonds (distance) C4'-P energy: -22.931
bonds (distance) P-C4' energy: -36.319
flat angles C4'-P-C4' energy: -40.892
flat angles P-C4'-P energy: -28.397
tors. eta vs tors. theta energy: -56.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -536.069236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.069236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.069236 (E_RNA)
where:
Base-Base interactions energy: -343.388
where: short stacking energy: -169.406
Base-Backbone interact. energy: -0.251
local terms energy: -192.430876
where:
bonds (distance) C4'-P energy: -34.550
bonds (distance) P-C4' energy: -38.778
flat angles C4'-P-C4' energy: -44.929
flat angles P-C4'-P energy: -29.345
tors. eta vs tors. theta energy: -44.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -252.099635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.099635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.099635 (E_RNA)
where:
Base-Base interactions energy: -103.633
where: short stacking energy: -74.183
Base-Backbone interact. energy: -0.825
local terms energy: -147.641761
where:
bonds (distance) C4'-P energy: -29.297
bonds (distance) P-C4' energy: -42.659
flat angles C4'-P-C4' energy: -40.600
flat angles P-C4'-P energy: -18.402
tors. eta vs tors. theta energy: -16.683
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: 276
Temperature: 1.250000
Total energy: -206.456588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.456588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.456588 (E_RNA)
where:
Base-Base interactions energy: -72.526
where: short stacking energy: -58.617
Base-Backbone interact. energy: -0.294
local terms energy: -133.636850
where:
bonds (distance) C4'-P energy: -32.658
bonds (distance) P-C4' energy: -33.823
flat angles C4'-P-C4' energy: -33.137
flat angles P-C4'-P energy: -24.009
tors. eta vs tors. theta energy: -10.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -192.341223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.341223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.341223 (E_RNA)
where:
Base-Base interactions energy: -49.915
where: short stacking energy: -49.435
Base-Backbone interact. energy: -0.255
local terms energy: -142.171881
where:
bonds (distance) C4'-P energy: -36.467
bonds (distance) P-C4' energy: -35.094
flat angles C4'-P-C4' energy: -36.102
flat angles P-C4'-P energy: -27.657
tors. eta vs tors. theta energy: -6.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -160.570205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.570205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.570205 (E_RNA)
where:
Base-Base interactions energy: -51.609
where: short stacking energy: -36.129
Base-Backbone interact. energy: -0.738
local terms energy: -108.222775
where:
bonds (distance) C4'-P energy: -27.240
bonds (distance) P-C4' energy: -40.135
flat angles C4'-P-C4' energy: -33.926
flat angles P-C4'-P energy: -18.285
tors. eta vs tors. theta energy: 11.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -684.946853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.946853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.946853 (E_RNA)
where:
Base-Base interactions energy: -450.785
where: short stacking energy: -202.866
Base-Backbone interact. energy: 0.644
local terms energy: -234.805617
where:
bonds (distance) C4'-P energy: -43.279
bonds (distance) P-C4' energy: -48.446
flat angles C4'-P-C4' energy: -48.835
flat angles P-C4'-P energy: -34.666
tors. eta vs tors. theta energy: -59.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -661.412993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.412993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.412993 (E_RNA)
where:
Base-Base interactions energy: -444.275
where: short stacking energy: -213.723
Base-Backbone interact. energy: -0.119
local terms energy: -217.018862
where:
bonds (distance) C4'-P energy: -35.025
bonds (distance) P-C4' energy: -40.763
flat angles C4'-P-C4' energy: -45.049
flat angles P-C4'-P energy: -29.295
tors. eta vs tors. theta energy: -66.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -624.122035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.122035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.122035 (E_RNA)
where:
Base-Base interactions energy: -419.307
where: short stacking energy: -187.998
Base-Backbone interact. energy: -1.102
local terms energy: -203.712251
where:
bonds (distance) C4'-P energy: -40.301
bonds (distance) P-C4' energy: -38.325
flat angles C4'-P-C4' energy: -40.442
flat angles P-C4'-P energy: -30.836
tors. eta vs tors. theta energy: -53.807
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: 8
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -571.165171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.165171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.165171 (E_RNA)
where:
Base-Base interactions energy: -367.426
where: short stacking energy: -173.809
Base-Backbone interact. energy: -0.550
local terms energy: -203.188811
where:
bonds (distance) C4'-P energy: -39.801
bonds (distance) P-C4' energy: -42.655
flat angles C4'-P-C4' energy: -37.718
flat angles P-C4'-P energy: -35.067
tors. eta vs tors. theta energy: -47.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -562.172328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.172328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.172328 (E_RNA)
where:
Base-Base interactions energy: -365.189
where: short stacking energy: -164.092
Base-Backbone interact. energy: -0.382
local terms energy: -196.601505
where:
bonds (distance) C4'-P energy: -43.280
bonds (distance) P-C4' energy: -34.863
flat angles C4'-P-C4' energy: -43.169
flat angles P-C4'-P energy: -25.167
tors. eta vs tors. theta energy: -50.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -519.831510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.831510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.831510 (E_RNA)
where:
Base-Base interactions energy: -341.674
where: short stacking energy: -155.454
Base-Backbone interact. energy: 0.488
local terms energy: -178.645215
where:
bonds (distance) C4'-P energy: -33.500
bonds (distance) P-C4' energy: -40.612
flat angles C4'-P-C4' energy: -32.082
flat angles P-C4'-P energy: -29.707
tors. eta vs tors. theta energy: -42.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -288.370843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.370843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.370843 (E_RNA)
where:
Base-Base interactions energy: -164.564
where: short stacking energy: -59.699
Base-Backbone interact. energy: -0.717
local terms energy: -123.089759
where:
bonds (distance) C4'-P energy: -32.753
bonds (distance) P-C4' energy: -38.874
flat angles C4'-P-C4' energy: -36.743
flat angles P-C4'-P energy: -15.519
tors. eta vs tors. theta energy: 0.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -199.698948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.698948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.698948 (E_RNA)
where:
Base-Base interactions energy: -71.770
where: short stacking energy: -64.553
Base-Backbone interact. energy: -1.599
local terms energy: -126.329509
where:
bonds (distance) C4'-P energy: -23.865
bonds (distance) P-C4' energy: -34.555
flat angles C4'-P-C4' energy: -35.695
flat angles P-C4'-P energy: -26.927
tors. eta vs tors. theta energy: -5.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -185.386653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.386653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.386653 (E_RNA)
where:
Base-Base interactions energy: -68.496
where: short stacking energy: -61.781
Base-Backbone interact. energy: 0.878
local terms energy: -117.769304
where:
bonds (distance) C4'-P energy: -28.902
bonds (distance) P-C4' energy: -35.334
flat angles C4'-P-C4' energy: -29.236
flat angles P-C4'-P energy: -15.155
tors. eta vs tors. theta energy: -9.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -176.864319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.864319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.864319 (E_RNA)
where:
Base-Base interactions energy: -63.401
where: short stacking energy: -57.320
Base-Backbone interact. energy: -0.035
local terms energy: -113.428578
where:
bonds (distance) C4'-P energy: -30.179
bonds (distance) P-C4' energy: -42.703
flat angles C4'-P-C4' energy: -32.366
flat angles P-C4'-P energy: -12.133
tors. eta vs tors. theta energy: 3.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -669.636522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.636522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.636522 (E_RNA)
where:
Base-Base interactions energy: -438.287
where: short stacking energy: -209.455
Base-Backbone interact. energy: -0.103
local terms energy: -231.246455
where:
bonds (distance) C4'-P energy: -46.782
bonds (distance) P-C4' energy: -36.468
flat angles C4'-P-C4' energy: -45.729
flat angles P-C4'-P energy: -30.690
tors. eta vs tors. theta energy: -71.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -672.103033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.103033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.103033 (E_RNA)
where:
Base-Base interactions energy: -466.490
where: short stacking energy: -195.872
Base-Backbone interact. energy: -0.077
local terms energy: -205.535792
where:
bonds (distance) C4'-P energy: -39.723
bonds (distance) P-C4' energy: -41.148
flat angles C4'-P-C4' energy: -40.465
flat angles P-C4'-P energy: -28.194
tors. eta vs tors. theta energy: -56.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -621.150240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.150240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.150240 (E_RNA)
where:
Base-Base interactions energy: -426.918
where: short stacking energy: -184.705
Base-Backbone interact. energy: -0.573
local terms energy: -193.658331
where:
bonds (distance) C4'-P energy: -40.358
bonds (distance) P-C4' energy: -36.827
flat angles C4'-P-C4' energy: -34.432
flat angles P-C4'-P energy: -20.053
tors. eta vs tors. theta energy: -61.989
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: 8
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -580.454472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.454472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.454472 (E_RNA)
where:
Base-Base interactions energy: -379.177
where: short stacking energy: -174.775
Base-Backbone interact. energy: -0.734
local terms energy: -200.544167
where:
bonds (distance) C4'-P energy: -44.852
bonds (distance) P-C4' energy: -29.255
flat angles C4'-P-C4' energy: -42.376
flat angles P-C4'-P energy: -31.179
tors. eta vs tors. theta energy: -52.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -557.838135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.838135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.838135 (E_RNA)
where:
Base-Base interactions energy: -362.508
where: short stacking energy: -172.697
Base-Backbone interact. energy: -0.327
local terms energy: -195.003143
where:
bonds (distance) C4'-P energy: -31.373
bonds (distance) P-C4' energy: -39.051
flat angles C4'-P-C4' energy: -45.788
flat angles P-C4'-P energy: -29.853
tors. eta vs tors. theta energy: -48.938
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: 9
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -529.972382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.972382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.972382 (E_RNA)
where:
Base-Base interactions energy: -346.156
where: short stacking energy: -156.529
Base-Backbone interact. energy: 0.760
local terms energy: -184.576605
where:
bonds (distance) C4'-P energy: -37.995
bonds (distance) P-C4' energy: -30.943
flat angles C4'-P-C4' energy: -43.704
flat angles P-C4'-P energy: -26.040
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: 7, replica: 5
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -214.595524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.595524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.595524 (E_RNA)
where:
Base-Base interactions energy: -84.012
where: short stacking energy: -63.598
Base-Backbone interact. energy: 2.986
local terms energy: -133.568842
where:
bonds (distance) C4'-P energy: -43.805
bonds (distance) P-C4' energy: -26.146
flat angles C4'-P-C4' energy: -34.655
flat angles P-C4'-P energy: -21.989
tors. eta vs tors. theta energy: -6.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -186.246786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.246786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.246786 (E_RNA)
where:
Base-Base interactions energy: -64.070
where: short stacking energy: -60.651
Base-Backbone interact. energy: 1.052
local terms energy: -123.228592
where:
bonds (distance) C4'-P energy: -23.623
bonds (distance) P-C4' energy: -35.420
flat angles C4'-P-C4' energy: -35.665
flat angles P-C4'-P energy: -20.868
tors. eta vs tors. theta energy: -7.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -194.371775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.371775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.371775 (E_RNA)
where:
Base-Base interactions energy: -62.694
where: short stacking energy: -57.283
Base-Backbone interact. energy: -0.399
local terms energy: -131.278995
where:
bonds (distance) C4'-P energy: -32.989
bonds (distance) P-C4' energy: -39.454
flat angles C4'-P-C4' energy: -35.926
flat angles P-C4'-P energy: -18.506
tors. eta vs tors. theta energy: -4.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -162.808853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.808853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.808853 (E_RNA)
where:
Base-Base interactions energy: -52.570
where: short stacking energy: -31.134
Base-Backbone interact. energy: -0.465
local terms energy: -109.773882
where:
bonds (distance) C4'-P energy: -36.806
bonds (distance) P-C4' energy: -34.066
flat angles C4'-P-C4' energy: -29.638
flat angles P-C4'-P energy: -20.630
tors. eta vs tors. theta energy: 11.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -652.341263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.341263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.341263 (E_RNA)
where:
Base-Base interactions energy: -447.130
where: short stacking energy: -204.383
Base-Backbone interact. energy: -1.255
local terms energy: -203.955881
where:
bonds (distance) C4'-P energy: -37.112
bonds (distance) P-C4' energy: -35.250
flat angles C4'-P-C4' energy: -43.146
flat angles P-C4'-P energy: -23.514
tors. eta vs tors. theta energy: -64.934
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: 4
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -642.875057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.875057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.875057 (E_RNA)
where:
Base-Base interactions energy: -438.251
where: short stacking energy: -187.361
Base-Backbone interact. energy: -0.720
local terms energy: -203.903793
where:
bonds (distance) C4'-P energy: -40.526
bonds (distance) P-C4' energy: -34.207
flat angles C4'-P-C4' energy: -43.149
flat angles P-C4'-P energy: -30.483
tors. eta vs tors. theta energy: -55.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -662.244179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.244179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.244179 (E_RNA)
where:
Base-Base interactions energy: -449.007
where: short stacking energy: -184.072
Base-Backbone interact. energy: 2.599
local terms energy: -215.836469
where:
bonds (distance) C4'-P energy: -38.042
bonds (distance) P-C4' energy: -37.768
flat angles C4'-P-C4' energy: -45.435
flat angles P-C4'-P energy: -32.988
tors. eta vs tors. theta energy: -61.604
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: 4, replica: 7
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -563.695175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.695175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.695175 (E_RNA)
where:
Base-Base interactions energy: -360.361
where: short stacking energy: -159.380
Base-Backbone interact. energy: -0.857
local terms energy: -202.477624
where:
bonds (distance) C4'-P energy: -43.519
bonds (distance) P-C4' energy: -41.003
flat angles C4'-P-C4' energy: -40.740
flat angles P-C4'-P energy: -27.897
tors. eta vs tors. theta energy: -49.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -572.017895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.017895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.017895 (E_RNA)
where:
Base-Base interactions energy: -368.095
where: short stacking energy: -168.175
Base-Backbone interact. energy: -0.348
local terms energy: -203.575074
where:
bonds (distance) C4'-P energy: -33.928
bonds (distance) P-C4' energy: -42.804
flat angles C4'-P-C4' energy: -41.370
flat angles P-C4'-P energy: -32.269
tors. eta vs tors. theta energy: -53.203
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: 9
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -536.700044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.700044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.700044 (E_RNA)
where:
Base-Base interactions energy: -359.907
where: short stacking energy: -166.767
Base-Backbone interact. energy: -0.248
local terms energy: -176.544221
where:
bonds (distance) C4'-P energy: -26.141
bonds (distance) P-C4' energy: -42.080
flat angles C4'-P-C4' energy: -37.939
flat angles P-C4'-P energy: -24.973
tors. eta vs tors. theta energy: -45.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -206.437503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.437503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.437503 (E_RNA)
where:
Base-Base interactions energy: -65.659
where: short stacking energy: -64.302
Base-Backbone interact. energy: -0.507
local terms energy: -140.270733
where:
bonds (distance) C4'-P energy: -35.834
bonds (distance) P-C4' energy: -42.178
flat angles C4'-P-C4' energy: -34.162
flat angles P-C4'-P energy: -19.225
tors. eta vs tors. theta energy: -8.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -185.346696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.346696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.346696 (E_RNA)
where:
Base-Base interactions energy: -66.656
where: short stacking energy: -53.438
Base-Backbone interact. energy: 0.505
local terms energy: -119.195963
where:
bonds (distance) C4'-P energy: -24.761
bonds (distance) P-C4' energy: -34.492
flat angles C4'-P-C4' energy: -31.614
flat angles P-C4'-P energy: -26.020
tors. eta vs tors. theta energy: -2.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -184.937266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.937266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.937266 (E_RNA)
where:
Base-Base interactions energy: -61.861
where: short stacking energy: -57.856
Base-Backbone interact. energy: -1.096
local terms energy: -121.980247
where:
bonds (distance) C4'-P energy: -32.038
bonds (distance) P-C4' energy: -36.775
flat angles C4'-P-C4' energy: -34.790
flat angles P-C4'-P energy: -14.182
tors. eta vs tors. theta energy: -4.195
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: 3
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -171.528217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.528217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.528217 (E_RNA)
where:
Base-Base interactions energy: -49.086
where: short stacking energy: -50.020
Base-Backbone interact. energy: -0.643
local terms energy: -121.798847
where:
bonds (distance) C4'-P energy: -30.873
bonds (distance) P-C4' energy: -40.483
flat angles C4'-P-C4' energy: -31.566
flat angles P-C4'-P energy: -10.635
tors. eta vs tors. theta energy: -8.242
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: 4
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -657.415822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.415822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.415822 (E_RNA)
where:
Base-Base interactions energy: -442.361
where: short stacking energy: -200.368
Base-Backbone interact. energy: -0.756
local terms energy: -214.298860
where:
bonds (distance) C4'-P energy: -36.081
bonds (distance) P-C4' energy: -37.507
flat angles C4'-P-C4' energy: -42.943
flat angles P-C4'-P energy: -31.267
tors. eta vs tors. theta energy: -66.502
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: 6
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -640.068795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.068795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.068795 (E_RNA)
where:
Base-Base interactions energy: -443.007
where: short stacking energy: -200.244
Base-Backbone interact. energy: -0.395
local terms energy: -196.666541
where:
bonds (distance) C4'-P energy: -39.919
bonds (distance) P-C4' energy: -31.751
flat angles C4'-P-C4' energy: -39.488
flat angles P-C4'-P energy: -25.201
tors. eta vs tors. theta energy: -60.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -657.296976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.296976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.296976 (E_RNA)
where:
Base-Base interactions energy: -442.143
where: short stacking energy: -186.484
Base-Backbone interact. energy: -0.477
local terms energy: -214.677086
where:
bonds (distance) C4'-P energy: -42.012
bonds (distance) P-C4' energy: -28.020
flat angles C4'-P-C4' energy: -48.556
flat angles P-C4'-P energy: -36.025
tors. eta vs tors. theta energy: -60.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -566.894590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.894590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.894590 (E_RNA)
where:
Base-Base interactions energy: -362.375
where: short stacking energy: -167.600
Base-Backbone interact. energy: -1.418
local terms energy: -203.101009
where:
bonds (distance) C4'-P energy: -40.639
bonds (distance) P-C4' energy: -37.286
flat angles C4'-P-C4' energy: -41.354
flat angles P-C4'-P energy: -29.776
tors. eta vs tors. theta energy: -54.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -553.080516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.080516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.080516 (E_RNA)
where:
Base-Base interactions energy: -372.732
where: short stacking energy: -175.576
Base-Backbone interact. energy: -1.257
local terms energy: -179.091448
where:
bonds (distance) C4'-P energy: -29.903
bonds (distance) P-C4' energy: -43.720
flat angles C4'-P-C4' energy: -36.234
flat angles P-C4'-P energy: -19.123
tors. eta vs tors. theta energy: -50.112
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: 6, replica: 9
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -529.628988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.628988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.628988 (E_RNA)
where:
Base-Base interactions energy: -357.305
where: short stacking energy: -175.451
Base-Backbone interact. energy: -0.169
local terms energy: -172.155223
where:
bonds (distance) C4'-P energy: -35.501
bonds (distance) P-C4' energy: -37.078
flat angles C4'-P-C4' energy: -38.236
flat angles P-C4'-P energy: -16.806
tors. eta vs tors. theta energy: -44.534
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: 5
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -212.060491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.060491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.060491 (E_RNA)
where:
Base-Base interactions energy: -87.526
where: short stacking energy: -56.796
Base-Backbone interact. energy: -0.595
local terms energy: -123.939702
where:
bonds (distance) C4'-P energy: -34.344
bonds (distance) P-C4' energy: -36.561
flat angles C4'-P-C4' energy: -30.768
flat angles P-C4'-P energy: -24.792
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: 8, replica: 1
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -202.282488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.282488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.282488 (E_RNA)
where:
Base-Base interactions energy: -64.229
where: short stacking energy: -60.193
Base-Backbone interact. energy: 3.418
local terms energy: -141.471445
where:
bonds (distance) C4'-P energy: -29.941
bonds (distance) P-C4' energy: -44.191
flat angles C4'-P-C4' energy: -38.435
flat angles P-C4'-P energy: -21.096
tors. eta vs tors. theta energy: -7.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -183.570281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.570281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.570281 (E_RNA)
where:
Base-Base interactions energy: -74.854
where: short stacking energy: -40.735
Base-Backbone interact. energy: 1.900
local terms energy: -110.616293
where:
bonds (distance) C4'-P energy: -32.319
bonds (distance) P-C4' energy: -37.744
flat angles C4'-P-C4' energy: -29.904
flat angles P-C4'-P energy: -14.650
tors. eta vs tors. theta energy: 4.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -170.780455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.780455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.780455 (E_RNA)
where:
Base-Base interactions energy: -70.570
where: short stacking energy: -44.908
Base-Backbone interact. energy: 0.101
local terms energy: -100.311211
where:
bonds (distance) C4'-P energy: -35.319
bonds (distance) P-C4' energy: -33.854
flat angles C4'-P-C4' energy: -26.316
flat angles P-C4'-P energy: -12.395
tors. eta vs tors. theta energy: 7.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -665.387441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.387441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.387441 (E_RNA)
where:
Base-Base interactions energy: -448.577
where: short stacking energy: -197.013
Base-Backbone interact. energy: -0.317
local terms energy: -216.493422
where:
bonds (distance) C4'-P energy: -39.977
bonds (distance) P-C4' energy: -46.856
flat angles C4'-P-C4' energy: -38.860
flat angles P-C4'-P energy: -27.392
tors. eta vs tors. theta energy: -63.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -665.981768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.981768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.981768 (E_RNA)
where:
Base-Base interactions energy: -449.687
where: short stacking energy: -187.137
Base-Backbone interact. energy: -1.950
local terms energy: -214.344304
where:
bonds (distance) C4'-P energy: -35.514
bonds (distance) P-C4' energy: -40.215
flat angles C4'-P-C4' energy: -44.154
flat angles P-C4'-P energy: -35.674
tors. eta vs tors. theta energy: -58.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -609.649023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.649023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.649023 (E_RNA)
where:
Base-Base interactions energy: -415.621
where: short stacking energy: -193.144
Base-Backbone interact. energy: -0.134
local terms energy: -193.894079
where:
bonds (distance) C4'-P energy: -27.775
bonds (distance) P-C4' energy: -33.150
flat angles C4'-P-C4' energy: -45.858
flat angles P-C4'-P energy: -26.782
tors. eta vs tors. theta energy: -60.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -579.583606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.583606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.583606 (E_RNA)
where:
Base-Base interactions energy: -378.003
where: short stacking energy: -182.833
Base-Backbone interact. energy: 0.073
local terms energy: -201.653095
where:
bonds (distance) C4'-P energy: -33.654
bonds (distance) P-C4' energy: -40.378
flat angles C4'-P-C4' energy: -39.896
flat angles P-C4'-P energy: -30.984
tors. eta vs tors. theta energy: -56.740
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: 8
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -557.149621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.149621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.149621 (E_RNA)
where:
Base-Base interactions energy: -356.690
where: short stacking energy: -166.297
Base-Backbone interact. energy: -0.508
local terms energy: -199.952018
where:
bonds (distance) C4'-P energy: -39.698
bonds (distance) P-C4' energy: -41.421
flat angles C4'-P-C4' energy: -40.110
flat angles P-C4'-P energy: -26.285
tors. eta vs tors. theta energy: -52.438
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: 9
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -530.120289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.120289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.120289 (E_RNA)
where:
Base-Base interactions energy: -349.059
where: short stacking energy: -160.755
Base-Backbone interact. energy: -0.231
local terms energy: -180.830073
where:
bonds (distance) C4'-P energy: -31.163
bonds (distance) P-C4' energy: -39.727
flat angles C4'-P-C4' energy: -37.837
flat angles P-C4'-P energy: -23.862
tors. eta vs tors. theta energy: -48.241
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: 5
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -244.628318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.628318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.628318 (E_RNA)
where:
Base-Base interactions energy: -109.652
where: short stacking energy: -68.469
Base-Backbone interact. energy: 3.817
local terms energy: -138.793850
where:
bonds (distance) C4'-P energy: -38.386
bonds (distance) P-C4' energy: -39.932
flat angles C4'-P-C4' energy: -33.738
flat angles P-C4'-P energy: -23.539
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: 8, replica: 1
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -248.864820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.864820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.864820 (E_RNA)
where:
Base-Base interactions energy: -108.401
where: short stacking energy: -69.972
Base-Backbone interact. energy: -0.332
local terms energy: -140.131636
where:
bonds (distance) C4'-P energy: -32.051
bonds (distance) P-C4' energy: -38.011
flat angles C4'-P-C4' energy: -34.578
flat angles P-C4'-P energy: -28.705
tors. eta vs tors. theta energy: -6.788
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: 10
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -169.868573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.868573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.868573 (E_RNA)
where:
Base-Base interactions energy: -38.458
where: short stacking energy: -31.039
Base-Backbone interact. energy: -1.902
local terms energy: -129.508802
where:
bonds (distance) C4'-P energy: -42.511
bonds (distance) P-C4' energy: -41.828
flat angles C4'-P-C4' energy: -34.766
flat angles P-C4'-P energy: -19.255
tors. eta vs tors. theta energy: 8.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -161.230315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.230315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.230315 (E_RNA)
where:
Base-Base interactions energy: -51.497
where: short stacking energy: -50.054
Base-Backbone interact. energy: -0.033
local terms energy: -109.700557
where:
bonds (distance) C4'-P energy: -24.422
bonds (distance) P-C4' energy: -27.029
flat angles C4'-P-C4' energy: -36.177
flat angles P-C4'-P energy: -21.559
tors. eta vs tors. theta energy: -0.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -671.339571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.339571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.339571 (E_RNA)
where:
Base-Base interactions energy: -454.529
where: short stacking energy: -192.670
Base-Backbone interact. energy: -1.207
local terms energy: -215.603534
where:
bonds (distance) C4'-P energy: -41.288
bonds (distance) P-C4' energy: -39.579
flat angles C4'-P-C4' energy: -45.607
flat angles P-C4'-P energy: -28.984
tors. eta vs tors. theta energy: -60.145
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: 4
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -663.439613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.439613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.439613 (E_RNA)
where:
Base-Base interactions energy: -428.474
where: short stacking energy: -197.777
Base-Backbone interact. energy: -0.138
local terms energy: -234.827577
where:
bonds (distance) C4'-P energy: -38.537
bonds (distance) P-C4' energy: -43.921
flat angles C4'-P-C4' energy: -49.600
flat angles P-C4'-P energy: -33.624
tors. eta vs tors. theta energy: -69.145
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: 3, replica: 6
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -617.779334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.779334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.779334 (E_RNA)
where:
Base-Base interactions energy: -417.029
where: short stacking energy: -199.922
Base-Backbone interact. energy: -0.409
local terms energy: -200.341997
where:
bonds (distance) C4'-P energy: -33.002
bonds (distance) P-C4' energy: -34.031
flat angles C4'-P-C4' energy: -36.294
flat angles P-C4'-P energy: -35.869
tors. eta vs tors. theta energy: -61.146
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: 7
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -583.938974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.938974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.938974 (E_RNA)
where:
Base-Base interactions energy: -379.309
where: short stacking energy: -175.210
Base-Backbone interact. energy: -0.017
local terms energy: -204.612535
where:
bonds (distance) C4'-P energy: -41.948
bonds (distance) P-C4' energy: -42.120
flat angles C4'-P-C4' energy: -38.570
flat angles P-C4'-P energy: -27.889
tors. eta vs tors. theta energy: -54.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -547.894767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.894767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.894767 (E_RNA)
where:
Base-Base interactions energy: -360.675
where: short stacking energy: -174.929
Base-Backbone interact. energy: -0.368
local terms energy: -186.851269
where:
bonds (distance) C4'-P energy: -35.306
bonds (distance) P-C4' energy: -37.837
flat angles C4'-P-C4' energy: -38.241
flat angles P-C4'-P energy: -26.035
tors. eta vs tors. theta energy: -49.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -545.349014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.349014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.349014 (E_RNA)
where:
Base-Base interactions energy: -352.669
where: short stacking energy: -161.240
Base-Backbone interact. energy: -0.238
local terms energy: -192.442360
where:
bonds (distance) C4'-P energy: -25.314
bonds (distance) P-C4' energy: -44.734
flat angles C4'-P-C4' energy: -43.382
flat angles P-C4'-P energy: -31.147
tors. eta vs tors. theta energy: -47.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -292.605015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.605015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.605015 (E_RNA)
where:
Base-Base interactions energy: -162.617
where: short stacking energy: -88.026
Base-Backbone interact. energy: -0.057
local terms energy: -129.931754
where:
bonds (distance) C4'-P energy: -32.843
bonds (distance) P-C4' energy: -37.331
flat angles C4'-P-C4' energy: -35.232
flat angles P-C4'-P energy: -11.343
tors. eta vs tors. theta energy: -13.183
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: 8, replica: 5
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -235.649434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.649434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.649434 (E_RNA)
where:
Base-Base interactions energy: -120.243
where: short stacking energy: -66.073
Base-Backbone interact. energy: -0.852
local terms energy: -114.554572
where:
bonds (distance) C4'-P energy: -34.256
bonds (distance) P-C4' energy: -28.114
flat angles C4'-P-C4' energy: -36.178
flat angles P-C4'-P energy: -16.027
tors. eta vs tors. theta energy: 0.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -173.438819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.438819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.438819 (E_RNA)
where:
Base-Base interactions energy: -44.933
where: short stacking energy: -35.295
Base-Backbone interact. energy: 3.616
local terms energy: -132.122205
where:
bonds (distance) C4'-P energy: -36.472
bonds (distance) P-C4' energy: -40.626
flat angles C4'-P-C4' energy: -32.953
flat angles P-C4'-P energy: -24.761
tors. eta vs tors. theta energy: 2.690
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: 10
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -176.627254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.627254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.627254 (E_RNA)
where:
Base-Base interactions energy: -60.278
where: short stacking energy: -56.278
Base-Backbone interact. energy: -0.737
local terms energy: -115.612630
where:
bonds (distance) C4'-P energy: -35.184
bonds (distance) P-C4' energy: -30.947
flat angles C4'-P-C4' energy: -27.558
flat angles P-C4'-P energy: -21.226
tors. eta vs tors. theta energy: -0.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -684.219388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.219388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.219388 (E_RNA)
where:
Base-Base interactions energy: -462.861
where: short stacking energy: -196.235
Base-Backbone interact. energy: -2.378
local terms energy: -218.980407
where:
bonds (distance) C4'-P energy: -39.972
bonds (distance) P-C4' energy: -38.117
flat angles C4'-P-C4' energy: -44.831
flat angles P-C4'-P energy: -32.333
tors. eta vs tors. theta energy: -63.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -667.947243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.947243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.947243 (E_RNA)
where:
Base-Base interactions energy: -444.554
where: short stacking energy: -204.337
Base-Backbone interact. energy: -2.002
local terms energy: -221.391285
where:
bonds (distance) C4'-P energy: -44.148
bonds (distance) P-C4' energy: -40.331
flat angles C4'-P-C4' energy: -45.367
flat angles P-C4'-P energy: -30.084
tors. eta vs tors. theta energy: -61.462
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: 4
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -638.599484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.599484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.599484 (E_RNA)
where:
Base-Base interactions energy: -422.695
where: short stacking energy: -192.385
Base-Backbone interact. energy: -0.250
local terms energy: -215.654764
where:
bonds (distance) C4'-P energy: -41.630
bonds (distance) P-C4' energy: -34.473
flat angles C4'-P-C4' energy: -47.227
flat angles P-C4'-P energy: -26.395
tors. eta vs tors. theta energy: -65.930
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: 8
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -569.230720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.230720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.230720 (E_RNA)
where:
Base-Base interactions energy: -375.097
where: short stacking energy: -177.723
Base-Backbone interact. energy: -0.670
local terms energy: -193.463495
where:
bonds (distance) C4'-P energy: -37.227
bonds (distance) P-C4' energy: -37.737
flat angles C4'-P-C4' energy: -44.755
flat angles P-C4'-P energy: -23.055
tors. eta vs tors. theta energy: -50.689
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: 5, replica: 7
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -573.326980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.326980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.326980 (E_RNA)
where:
Base-Base interactions energy: -368.899
where: short stacking energy: -177.437
Base-Backbone interact. energy: -0.042
local terms energy: -204.385588
where:
bonds (distance) C4'-P energy: -46.016
bonds (distance) P-C4' energy: -39.021
flat angles C4'-P-C4' energy: -36.296
flat angles P-C4'-P energy: -25.936
tors. eta vs tors. theta energy: -57.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -551.443106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.443106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.443106 (E_RNA)
where:
Base-Base interactions energy: -364.230
where: short stacking energy: -177.326
Base-Backbone interact. energy: -0.897
local terms energy: -186.316247
where:
bonds (distance) C4'-P energy: -19.327
bonds (distance) P-C4' energy: -30.342
flat angles C4'-P-C4' energy: -46.493
flat angles P-C4'-P energy: -29.337
tors. eta vs tors. theta energy: -60.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -265.804304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.804304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.804304 (E_RNA)
where:
Base-Base interactions energy: -117.135
where: short stacking energy: -88.887
Base-Backbone interact. energy: -1.495
local terms energy: -147.174712
where:
bonds (distance) C4'-P energy: -33.211
bonds (distance) P-C4' energy: -40.454
flat angles C4'-P-C4' energy: -33.955
flat angles P-C4'-P energy: -25.026
tors. eta vs tors. theta energy: -14.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -182.300669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.300669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.300669 (E_RNA)
where:
Base-Base interactions energy: -58.789
where: short stacking energy: -49.952
Base-Backbone interact. energy: -1.314
local terms energy: -122.197647
where:
bonds (distance) C4'-P energy: -41.267
bonds (distance) P-C4' energy: -46.776
flat angles C4'-P-C4' energy: -25.265
flat angles P-C4'-P energy: -8.041
tors. eta vs tors. theta energy: -0.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -171.103534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.103534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.103534 (E_RNA)
where:
Base-Base interactions energy: -50.170
where: short stacking energy: -42.539
Base-Backbone interact. energy: -1.479
local terms energy: -119.454840
where:
bonds (distance) C4'-P energy: -33.408
bonds (distance) P-C4' energy: -34.828
flat angles C4'-P-C4' energy: -31.965
flat angles P-C4'-P energy: -24.438
tors. eta vs tors. theta energy: 5.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -170.940718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.940718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.940718 (E_RNA)
where:
Base-Base interactions energy: -55.554
where: short stacking energy: -44.319
Base-Backbone interact. energy: 0.803
local terms energy: -116.189646
where:
bonds (distance) C4'-P energy: -34.738
bonds (distance) P-C4' energy: -36.374
flat angles C4'-P-C4' energy: -27.919
flat angles P-C4'-P energy: -21.828
tors. eta vs tors. theta energy: 4.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -686.159645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.159645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.159645 (E_RNA)
where:
Base-Base interactions energy: -465.879
where: short stacking energy: -197.737
Base-Backbone interact. energy: -2.001
local terms energy: -218.279178
where:
bonds (distance) C4'-P energy: -39.562
bonds (distance) P-C4' energy: -40.835
flat angles C4'-P-C4' energy: -44.976
flat angles P-C4'-P energy: -31.090
tors. eta vs tors. theta energy: -61.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -656.601380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.601380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.601380 (E_RNA)
where:
Base-Base interactions energy: -436.427
where: short stacking energy: -214.851
Base-Backbone interact. energy: 2.147
local terms energy: -222.320676
where:
bonds (distance) C4'-P energy: -42.232
bonds (distance) P-C4' energy: -36.875
flat angles C4'-P-C4' energy: -44.382
flat angles P-C4'-P energy: -34.542
tors. eta vs tors. theta energy: -64.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -626.913153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.913153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.913153 (E_RNA)
where:
Base-Base interactions energy: -413.249
where: short stacking energy: -195.293
Base-Backbone interact. energy: -0.890
local terms energy: -212.774394
where:
bonds (distance) C4'-P energy: -33.423
bonds (distance) P-C4' energy: -39.316
flat angles C4'-P-C4' energy: -42.204
flat angles P-C4'-P energy: -37.175
tors. eta vs tors. theta energy: -60.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -564.444792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.444792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.444792 (E_RNA)
where:
Base-Base interactions energy: -350.670
where: short stacking energy: -163.437
Base-Backbone interact. energy: -0.942
local terms energy: -212.832804
where:
bonds (distance) C4'-P energy: -40.953
bonds (distance) P-C4' energy: -41.116
flat angles C4'-P-C4' energy: -38.212
flat angles P-C4'-P energy: -36.475
tors. eta vs tors. theta energy: -56.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -566.626969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.626969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.626969 (E_RNA)
where:
Base-Base interactions energy: -374.166
where: short stacking energy: -183.722
Base-Backbone interact. energy: -0.074
local terms energy: -192.387015
where:
bonds (distance) C4'-P energy: -38.192
bonds (distance) P-C4' energy: -31.714
flat angles C4'-P-C4' energy: -40.053
flat angles P-C4'-P energy: -31.579
tors. eta vs tors. theta energy: -50.849
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: 7
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -568.949701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.949701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.949701 (E_RNA)
where:
Base-Base interactions energy: -355.852
where: short stacking energy: -182.794
Base-Backbone interact. energy: -0.205
local terms energy: -212.893026
where:
bonds (distance) C4'-P energy: -40.203
bonds (distance) P-C4' energy: -40.749
flat angles C4'-P-C4' energy: -45.335
flat angles P-C4'-P energy: -28.589
tors. eta vs tors. theta energy: -58.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -250.236495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.236495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.236495 (E_RNA)
where:
Base-Base interactions energy: -118.106
where: short stacking energy: -82.570
Base-Backbone interact. energy: -0.119
local terms energy: -132.010983
where:
bonds (distance) C4'-P energy: -35.602
bonds (distance) P-C4' energy: -31.285
flat angles C4'-P-C4' energy: -36.906
flat angles P-C4'-P energy: -16.557
tors. eta vs tors. theta energy: -11.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -223.333248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.333248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.333248 (E_RNA)
where:
Base-Base interactions energy: -105.447
where: short stacking energy: -66.197
Base-Backbone interact. energy: 2.623
local terms energy: -120.509183
where:
bonds (distance) C4'-P energy: -29.219
bonds (distance) P-C4' energy: -35.121
flat angles C4'-P-C4' energy: -41.165
flat angles P-C4'-P energy: -19.682
tors. eta vs tors. theta energy: 4.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -187.683390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.683390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.683390 (E_RNA)
where:
Base-Base interactions energy: -71.750
where: short stacking energy: -49.626
Base-Backbone interact. energy: -3.411
local terms energy: -112.523039
where:
bonds (distance) C4'-P energy: -27.589
bonds (distance) P-C4' energy: -36.958
flat angles C4'-P-C4' energy: -33.237
flat angles P-C4'-P energy: -24.186
tors. eta vs tors. theta energy: 9.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -158.242142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.242142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.242142 (E_RNA)
where:
Base-Base interactions energy: -42.427
where: short stacking energy: -41.107
Base-Backbone interact. energy: -0.310
local terms energy: -115.504757
where:
bonds (distance) C4'-P energy: -28.964
bonds (distance) P-C4' energy: -21.472
flat angles C4'-P-C4' energy: -36.714
flat angles P-C4'-P energy: -27.459
tors. eta vs tors. theta energy: -0.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -663.228673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.228673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.228673 (E_RNA)
where:
Base-Base interactions energy: -453.542
where: short stacking energy: -206.239
Base-Backbone interact. energy: -0.482
local terms energy: -209.204646
where:
bonds (distance) C4'-P energy: -34.641
bonds (distance) P-C4' energy: -41.008
flat angles C4'-P-C4' energy: -41.578
flat angles P-C4'-P energy: -27.942
tors. eta vs tors. theta energy: -64.035
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: 4
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -661.219240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.219240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.219240 (E_RNA)
where:
Base-Base interactions energy: -432.891
where: short stacking energy: -198.923
Base-Backbone interact. energy: -0.478
local terms energy: -227.850131
where:
bonds (distance) C4'-P energy: -40.435
bonds (distance) P-C4' energy: -47.873
flat angles C4'-P-C4' energy: -44.588
flat angles P-C4'-P energy: -28.803
tors. eta vs tors. theta energy: -66.151
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: 6
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -633.011170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.011170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.011170 (E_RNA)
where:
Base-Base interactions energy: -426.011
where: short stacking energy: -196.094
Base-Backbone interact. energy: 0.129
local terms energy: -207.128319
where:
bonds (distance) C4'-P energy: -36.100
bonds (distance) P-C4' energy: -39.746
flat angles C4'-P-C4' energy: -43.251
flat angles P-C4'-P energy: -31.008
tors. eta vs tors. theta energy: -57.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -581.992486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.992486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.992486 (E_RNA)
where:
Base-Base interactions energy: -388.841
where: short stacking energy: -169.551
Base-Backbone interact. energy: -0.755
local terms energy: -192.396224
where:
bonds (distance) C4'-P energy: -28.213
bonds (distance) P-C4' energy: -40.134
flat angles C4'-P-C4' energy: -46.357
flat angles P-C4'-P energy: -22.416
tors. eta vs tors. theta energy: -55.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -574.956229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.956229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.956229 (E_RNA)
where:
Base-Base interactions energy: -372.285
where: short stacking energy: -176.119
Base-Backbone interact. energy: -0.665
local terms energy: -202.006393
where:
bonds (distance) C4'-P energy: -33.053
bonds (distance) P-C4' energy: -37.733
flat angles C4'-P-C4' energy: -45.556
flat angles P-C4'-P energy: -30.718
tors. eta vs tors. theta energy: -54.947
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: 7
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -530.322203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.322203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.322203 (E_RNA)
where:
Base-Base interactions energy: -339.825
where: short stacking energy: -167.403
Base-Backbone interact. energy: -0.192
local terms energy: -190.305254
where:
bonds (distance) C4'-P energy: -35.034
bonds (distance) P-C4' energy: -33.762
flat angles C4'-P-C4' energy: -41.969
flat angles P-C4'-P energy: -22.525
tors. eta vs tors. theta energy: -57.015
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: 3
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -249.985158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.985158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.985158 (E_RNA)
where:
Base-Base interactions energy: -120.831
where: short stacking energy: -81.559
Base-Backbone interact. energy: 1.455
local terms energy: -130.609081
where:
bonds (distance) C4'-P energy: -27.705
bonds (distance) P-C4' energy: -39.553
flat angles C4'-P-C4' energy: -22.396
flat angles P-C4'-P energy: -28.114
tors. eta vs tors. theta energy: -12.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -239.097570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.097570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.097570 (E_RNA)
where:
Base-Base interactions energy: -131.211
where: short stacking energy: -86.170
Base-Backbone interact. energy: -0.387
local terms energy: -107.499695
where:
bonds (distance) C4'-P energy: -27.401
bonds (distance) P-C4' energy: -36.487
flat angles C4'-P-C4' energy: -27.071
flat angles P-C4'-P energy: -9.987
tors. eta vs tors. theta energy: -6.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -187.250184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.250184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.250184 (E_RNA)
where:
Base-Base interactions energy: -74.370
where: short stacking energy: -53.382
Base-Backbone interact. energy: 0.120
local terms energy: -113.000000
where:
bonds (distance) C4'-P energy: -27.659
bonds (distance) P-C4' energy: -37.511
flat angles C4'-P-C4' energy: -37.799
flat angles P-C4'-P energy: -16.218
tors. eta vs tors. theta energy: 6.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -167.366038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.366038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.366038 (E_RNA)
where:
Base-Base interactions energy: -49.500
where: short stacking energy: -47.209
Base-Backbone interact. energy: -0.672
local terms energy: -117.194167
where:
bonds (distance) C4'-P energy: -42.356
bonds (distance) P-C4' energy: -31.491
flat angles C4'-P-C4' energy: -31.363
flat angles P-C4'-P energy: -17.695
tors. eta vs tors. theta energy: 5.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -656.841873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.841873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.841873 (E_RNA)
where:
Base-Base interactions energy: -433.692
where: short stacking energy: -204.020
Base-Backbone interact. energy: -0.734
local terms energy: -222.415542
where:
bonds (distance) C4'-P energy: -43.898
bonds (distance) P-C4' energy: -38.532
flat angles C4'-P-C4' energy: -50.320
flat angles P-C4'-P energy: -28.508
tors. eta vs tors. theta energy: -61.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -651.362061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.362061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.362061 (E_RNA)
where:
Base-Base interactions energy: -440.957
where: short stacking energy: -190.376
Base-Backbone interact. energy: -0.402
local terms energy: -210.003826
where:
bonds (distance) C4'-P energy: -35.683
bonds (distance) P-C4' energy: -38.821
flat angles C4'-P-C4' energy: -46.523
flat angles P-C4'-P energy: -24.059
tors. eta vs tors. theta energy: -64.918
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: 286
Temperature: 1.000000
Total energy: -626.627855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.627855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.627855 (E_RNA)
where:
Base-Base interactions energy: -410.338
where: short stacking energy: -182.774
Base-Backbone interact. energy: 0.180
local terms energy: -216.469725
where:
bonds (distance) C4'-P energy: -41.037
bonds (distance) P-C4' energy: -42.577
flat angles C4'-P-C4' energy: -46.653
flat angles P-C4'-P energy: -28.467
tors. eta vs tors. theta energy: -57.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -582.693877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.693877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.693877 (E_RNA)
where:
Base-Base interactions energy: -375.204
where: short stacking energy: -168.947
Base-Backbone interact. energy: -0.104
local terms energy: -207.386208
where:
bonds (distance) C4'-P energy: -38.119
bonds (distance) P-C4' energy: -39.240
flat angles C4'-P-C4' energy: -45.678
flat angles P-C4'-P energy: -33.448
tors. eta vs tors. theta energy: -50.901
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: 5, replica: 7
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -555.559382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.559382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.559382 (E_RNA)
where:
Base-Base interactions energy: -357.611
where: short stacking energy: -172.382
Base-Backbone interact. energy: -0.415
local terms energy: -197.533451
where:
bonds (distance) C4'-P energy: -38.577
bonds (distance) P-C4' energy: -30.570
flat angles C4'-P-C4' energy: -41.969
flat angles P-C4'-P energy: -29.660
tors. eta vs tors. theta energy: -56.758
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: 8
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -525.893029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.893029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.893029 (E_RNA)
where:
Base-Base interactions energy: -349.345
where: short stacking energy: -166.071
Base-Backbone interact. energy: -1.044
local terms energy: -175.504346
where:
bonds (distance) C4'-P energy: -34.518
bonds (distance) P-C4' energy: -40.415
flat angles C4'-P-C4' energy: -30.224
flat angles P-C4'-P energy: -28.505
tors. eta vs tors. theta energy: -41.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -247.615036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.615036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.615036 (E_RNA)
where:
Base-Base interactions energy: -126.555
where: short stacking energy: -89.562
Base-Backbone interact. energy: -0.742
local terms energy: -120.317487
where:
bonds (distance) C4'-P energy: -31.756
bonds (distance) P-C4' energy: -35.813
flat angles C4'-P-C4' energy: -29.953
flat angles P-C4'-P energy: -9.707
tors. eta vs tors. theta energy: -13.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -208.635636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.635636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.635636 (E_RNA)
where:
Base-Base interactions energy: -90.777
where: short stacking energy: -61.427
Base-Backbone interact. energy: -0.568
local terms energy: -117.290658
where:
bonds (distance) C4'-P energy: -25.619
bonds (distance) P-C4' energy: -36.311
flat angles C4'-P-C4' energy: -33.280
flat angles P-C4'-P energy: -22.869
tors. eta vs tors. theta energy: 0.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -185.043943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.043943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.043943 (E_RNA)
where:
Base-Base interactions energy: -64.489
where: short stacking energy: -43.265
Base-Backbone interact. energy: -0.411
local terms energy: -120.144743
where:
bonds (distance) C4'-P energy: -35.078
bonds (distance) P-C4' energy: -37.318
flat angles C4'-P-C4' energy: -30.143
flat angles P-C4'-P energy: -23.935
tors. eta vs tors. theta energy: 6.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -165.610199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.610199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.610199 (E_RNA)
where:
Base-Base interactions energy: -46.230
where: short stacking energy: -43.376
Base-Backbone interact. energy: -0.837
local terms energy: -118.542814
where:
bonds (distance) C4'-P energy: -35.177
bonds (distance) P-C4' energy: -44.741
flat angles C4'-P-C4' energy: -33.539
flat angles P-C4'-P energy: -12.305
tors. eta vs tors. theta energy: 7.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -675.363336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.363336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.363336 (E_RNA)
where:
Base-Base interactions energy: -464.773
where: short stacking energy: -208.222
Base-Backbone interact. energy: -0.727
local terms energy: -209.863937
where:
bonds (distance) C4'-P energy: -31.223
bonds (distance) P-C4' energy: -38.641
flat angles C4'-P-C4' energy: -48.103
flat angles P-C4'-P energy: -26.887
tors. eta vs tors. theta energy: -65.010
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: 2
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -655.034569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.034569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.034569 (E_RNA)
where:
Base-Base interactions energy: -440.108
where: short stacking energy: -193.921
Base-Backbone interact. energy: 0.545
local terms energy: -215.471731
where:
bonds (distance) C4'-P energy: -39.902
bonds (distance) P-C4' energy: -38.323
flat angles C4'-P-C4' energy: -41.750
flat angles P-C4'-P energy: -34.062
tors. eta vs tors. theta energy: -61.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -624.606148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.606148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.606148 (E_RNA)
where:
Base-Base interactions energy: -417.930
where: short stacking energy: -179.775
Base-Backbone interact. energy: -1.424
local terms energy: -205.251669
where:
bonds (distance) C4'-P energy: -34.201
bonds (distance) P-C4' energy: -43.925
flat angles C4'-P-C4' energy: -45.543
flat angles P-C4'-P energy: -25.983
tors. eta vs tors. theta energy: -55.600
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: 9
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -575.220289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.220289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.220289 (E_RNA)
where:
Base-Base interactions energy: -374.603
where: short stacking energy: -176.651
Base-Backbone interact. energy: -0.719
local terms energy: -199.897430
where:
bonds (distance) C4'-P energy: -37.534
bonds (distance) P-C4' energy: -41.722
flat angles C4'-P-C4' energy: -39.093
flat angles P-C4'-P energy: -28.036
tors. eta vs tors. theta energy: -53.512
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: 7
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -565.009561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.009561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.009561 (E_RNA)
where:
Base-Base interactions energy: -370.799
where: short stacking energy: -175.996
Base-Backbone interact. energy: -0.276
local terms energy: -193.934284
where:
bonds (distance) C4'-P energy: -33.308
bonds (distance) P-C4' energy: -36.302
flat angles C4'-P-C4' energy: -41.599
flat angles P-C4'-P energy: -26.323
tors. eta vs tors. theta energy: -56.402
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: 8
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -499.499475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.499475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.499475 (E_RNA)
where:
Base-Base interactions energy: -322.822
where: short stacking energy: -150.448
Base-Backbone interact. energy: -0.702
local terms energy: -175.974690
where:
bonds (distance) C4'-P energy: -33.256
bonds (distance) P-C4' energy: -39.646
flat angles C4'-P-C4' energy: -37.665
flat angles P-C4'-P energy: -27.476
tors. eta vs tors. theta energy: -37.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -207.873313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.873313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.873313 (E_RNA)
where:
Base-Base interactions energy: -75.801
where: short stacking energy: -70.956
Base-Backbone interact. energy: 0.381
local terms energy: -132.453828
where:
bonds (distance) C4'-P energy: -33.346
bonds (distance) P-C4' energy: -31.925
flat angles C4'-P-C4' energy: -36.735
flat angles P-C4'-P energy: -16.258
tors. eta vs tors. theta energy: -14.189
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: 10
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -190.372019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.372019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.372019 (E_RNA)
where:
Base-Base interactions energy: -63.047
where: short stacking energy: -44.549
Base-Backbone interact. energy: -0.510
local terms energy: -126.814971
where:
bonds (distance) C4'-P energy: -37.175
bonds (distance) P-C4' energy: -36.634
flat angles C4'-P-C4' energy: -31.870
flat angles P-C4'-P energy: -21.436
tors. eta vs tors. theta energy: 0.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -227.020163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.020163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.020163 (E_RNA)
where:
Base-Base interactions energy: -106.611
where: short stacking energy: -60.660
Base-Backbone interact. energy: 0.272
local terms energy: -120.680920
where:
bonds (distance) C4'-P energy: -38.754
bonds (distance) P-C4' energy: -25.191
flat angles C4'-P-C4' energy: -39.928
flat angles P-C4'-P energy: -10.382
tors. eta vs tors. theta energy: -6.427
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: 5
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -179.023740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.023740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.023740 (E_RNA)
where:
Base-Base interactions energy: -67.029
where: short stacking energy: -46.373
Base-Backbone interact. energy: -0.851
local terms energy: -111.143263
where:
bonds (distance) C4'-P energy: -34.931
bonds (distance) P-C4' energy: -36.803
flat angles C4'-P-C4' energy: -30.046
flat angles P-C4'-P energy: -14.979
tors. eta vs tors. theta energy: 5.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -670.459090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.459090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.459090 (E_RNA)
where:
Base-Base interactions energy: -459.780
where: short stacking energy: -206.648
Base-Backbone interact. energy: -0.530
local terms energy: -210.148389
where:
bonds (distance) C4'-P energy: -36.258
bonds (distance) P-C4' energy: -40.022
flat angles C4'-P-C4' energy: -45.706
flat angles P-C4'-P energy: -25.197
tors. eta vs tors. theta energy: -62.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -656.069628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.069628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.069628 (E_RNA)
where:
Base-Base interactions energy: -425.399
where: short stacking energy: -197.566
Base-Backbone interact. energy: -3.503
local terms energy: -227.167084
where:
bonds (distance) C4'-P energy: -38.418
bonds (distance) P-C4' energy: -42.629
flat angles C4'-P-C4' energy: -48.648
flat angles P-C4'-P energy: -31.402
tors. eta vs tors. theta energy: -66.071
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: 6
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -631.117884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.117884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.117884 (E_RNA)
where:
Base-Base interactions energy: -416.708
where: short stacking energy: -191.584
Base-Backbone interact. energy: -0.968
local terms energy: -213.442528
where:
bonds (distance) C4'-P energy: -43.959
bonds (distance) P-C4' energy: -40.204
flat angles C4'-P-C4' energy: -40.180
flat angles P-C4'-P energy: -33.856
tors. eta vs tors. theta energy: -55.243
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: 9
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -576.617537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.617537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.617537 (E_RNA)
where:
Base-Base interactions energy: -386.906
where: short stacking energy: -192.986
Base-Backbone interact. energy: -0.171
local terms energy: -189.539929
where:
bonds (distance) C4'-P energy: -31.919
bonds (distance) P-C4' energy: -38.057
flat angles C4'-P-C4' energy: -40.428
flat angles P-C4'-P energy: -17.367
tors. eta vs tors. theta energy: -61.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -571.214100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.214100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.214100 (E_RNA)
where:
Base-Base interactions energy: -369.370
where: short stacking energy: -160.356
Base-Backbone interact. energy: -0.725
local terms energy: -201.119144
where:
bonds (distance) C4'-P energy: -40.795
bonds (distance) P-C4' energy: -42.682
flat angles C4'-P-C4' energy: -42.352
flat angles P-C4'-P energy: -27.663
tors. eta vs tors. theta energy: -47.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -485.876187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.876187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.876187 (E_RNA)
where:
Base-Base interactions energy: -324.746
where: short stacking energy: -153.483
Base-Backbone interact. energy: -0.292
local terms energy: -160.838065
where:
bonds (distance) C4'-P energy: -29.827
bonds (distance) P-C4' energy: -32.288
flat angles C4'-P-C4' energy: -41.568
flat angles P-C4'-P energy: -14.500
tors. eta vs tors. theta energy: -42.656
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: 10
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -231.856643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.856643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.856643 (E_RNA)
where:
Base-Base interactions energy: -96.242
where: short stacking energy: -69.749
Base-Backbone interact. energy: -0.422
local terms energy: -135.192806
where:
bonds (distance) C4'-P energy: -35.687
bonds (distance) P-C4' energy: -41.873
flat angles C4'-P-C4' energy: -33.491
flat angles P-C4'-P energy: -17.826
tors. eta vs tors. theta energy: -6.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -214.568821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.568821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.568821 (E_RNA)
where:
Base-Base interactions energy: -82.818
where: short stacking energy: -64.095
Base-Backbone interact. energy: -2.370
local terms energy: -129.379965
where:
bonds (distance) C4'-P energy: -32.877
bonds (distance) P-C4' energy: -31.747
flat angles C4'-P-C4' energy: -35.137
flat angles P-C4'-P energy: -21.015
tors. eta vs tors. theta energy: -8.604
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: 288
Temperature: 1.300000
Total energy: -174.496688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.496688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.496688 (E_RNA)
where:
Base-Base interactions energy: -63.779
where: short stacking energy: -54.799
Base-Backbone interact. energy: 1.961
local terms energy: -112.678208
where:
bonds (distance) C4'-P energy: -21.304
bonds (distance) P-C4' energy: -24.672
flat angles C4'-P-C4' energy: -39.258
flat angles P-C4'-P energy: -22.791
tors. eta vs tors. theta energy: -4.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -177.921336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.921336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.921336 (E_RNA)
where:
Base-Base interactions energy: -77.184
where: short stacking energy: -35.122
Base-Backbone interact. energy: -0.896
local terms energy: -99.840475
where:
bonds (distance) C4'-P energy: -35.631
bonds (distance) P-C4' energy: -42.407
flat angles C4'-P-C4' energy: -19.596
flat angles P-C4'-P energy: -19.368
tors. eta vs tors. theta energy: 17.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -660.246605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.246605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.246605 (E_RNA)
where:
Base-Base interactions energy: -439.272
where: short stacking energy: -190.260
Base-Backbone interact. energy: -0.714
local terms energy: -220.260100
where:
bonds (distance) C4'-P energy: -42.521
bonds (distance) P-C4' energy: -39.419
flat angles C4'-P-C4' energy: -45.100
flat angles P-C4'-P energy: -30.825
tors. eta vs tors. theta energy: -62.394
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: 4
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -657.371941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.371941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.371941 (E_RNA)
where:
Base-Base interactions energy: -435.975
where: short stacking energy: -200.917
Base-Backbone interact. energy: -0.980
local terms energy: -220.416724
where:
bonds (distance) C4'-P energy: -39.355
bonds (distance) P-C4' energy: -37.931
flat angles C4'-P-C4' energy: -47.138
flat angles P-C4'-P energy: -33.698
tors. eta vs tors. theta energy: -62.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -623.643772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.643772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.643772 (E_RNA)
where:
Base-Base interactions energy: -410.771
where: short stacking energy: -197.765
Base-Backbone interact. energy: -0.458
local terms energy: -212.414635
where:
bonds (distance) C4'-P energy: -35.382
bonds (distance) P-C4' energy: -35.450
flat angles C4'-P-C4' energy: -46.286
flat angles P-C4'-P energy: -35.771
tors. eta vs tors. theta energy: -59.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -572.454896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.454896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.454896 (E_RNA)
where:
Base-Base interactions energy: -373.829
where: short stacking energy: -176.555
Base-Backbone interact. energy: -0.189
local terms energy: -198.437071
where:
bonds (distance) C4'-P energy: -40.077
bonds (distance) P-C4' energy: -42.217
flat angles C4'-P-C4' energy: -48.400
flat angles P-C4'-P energy: -17.961
tors. eta vs tors. theta energy: -49.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -568.060794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.060794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.060794 (E_RNA)
where:
Base-Base interactions energy: -367.110
where: short stacking energy: -177.340
Base-Backbone interact. energy: -1.553
local terms energy: -199.397347
where:
bonds (distance) C4'-P energy: -35.799
bonds (distance) P-C4' energy: -38.386
flat angles C4'-P-C4' energy: -44.806
flat angles P-C4'-P energy: -30.194
tors. eta vs tors. theta energy: -50.213
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: 8
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -509.452209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.452209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.452209 (E_RNA)
where:
Base-Base interactions energy: -330.352
where: short stacking energy: -157.725
Base-Backbone interact. energy: 0.528
local terms energy: -179.628397
where:
bonds (distance) C4'-P energy: -34.012
bonds (distance) P-C4' energy: -35.011
flat angles C4'-P-C4' energy: -36.807
flat angles P-C4'-P energy: -25.463
tors. eta vs tors. theta energy: -48.336
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: 10
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -246.504904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.504904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.504904 (E_RNA)
where:
Base-Base interactions energy: -91.322
where: short stacking energy: -81.881
Base-Backbone interact. energy: 0.273
local terms energy: -155.455409
where:
bonds (distance) C4'-P energy: -39.885
bonds (distance) P-C4' energy: -47.718
flat angles C4'-P-C4' energy: -32.403
flat angles P-C4'-P energy: -24.260
tors. eta vs tors. theta energy: -11.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -177.420488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.420488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.420488 (E_RNA)
where:
Base-Base interactions energy: -44.705
where: short stacking energy: -36.547
Base-Backbone interact. energy: -1.168
local terms energy: -131.546902
where:
bonds (distance) C4'-P energy: -37.036
bonds (distance) P-C4' energy: -47.369
flat angles C4'-P-C4' energy: -30.889
flat angles P-C4'-P energy: -21.521
tors. eta vs tors. theta energy: 5.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -176.475004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.475004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.475004 (E_RNA)
where:
Base-Base interactions energy: -53.009
where: short stacking energy: -41.848
Base-Backbone interact. energy: -0.708
local terms energy: -122.757990
where:
bonds (distance) C4'-P energy: -32.715
bonds (distance) P-C4' energy: -35.506
flat angles C4'-P-C4' energy: -22.692
flat angles P-C4'-P energy: -30.216
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: 10, replica: 1
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -196.027865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.027865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.027865 (E_RNA)
where:
Base-Base interactions energy: -75.676
where: short stacking energy: -32.367
Base-Backbone interact. energy: 0.338
local terms energy: -120.689173
where:
bonds (distance) C4'-P energy: -41.110
bonds (distance) P-C4' energy: -34.474
flat angles C4'-P-C4' energy: -36.535
flat angles P-C4'-P energy: -25.870
tors. eta vs tors. theta energy: 17.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -668.635102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.635102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.635102 (E_RNA)
where:
Base-Base interactions energy: -458.351
where: short stacking energy: -190.895
Base-Backbone interact. energy: 0.368
local terms energy: -210.652393
where:
bonds (distance) C4'-P energy: -33.938
bonds (distance) P-C4' energy: -37.775
flat angles C4'-P-C4' energy: -45.117
flat angles P-C4'-P energy: -32.860
tors. eta vs tors. theta energy: -60.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -654.956038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.956038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.956038 (E_RNA)
where:
Base-Base interactions energy: -439.004
where: short stacking energy: -203.521
Base-Backbone interact. energy: -0.419
local terms energy: -215.532322
where:
bonds (distance) C4'-P energy: -36.036
bonds (distance) P-C4' energy: -39.245
flat angles C4'-P-C4' energy: -45.068
flat angles P-C4'-P energy: -32.278
tors. eta vs tors. theta energy: -62.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -621.523737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.523737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.523737 (E_RNA)
where:
Base-Base interactions energy: -417.881
where: short stacking energy: -182.472
Base-Backbone interact. energy: -0.037
local terms energy: -203.605602
where:
bonds (distance) C4'-P energy: -37.834
bonds (distance) P-C4' energy: -41.494
flat angles C4'-P-C4' energy: -36.687
flat angles P-C4'-P energy: -30.909
tors. eta vs tors. theta energy: -56.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -568.846663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.846663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.846663 (E_RNA)
where:
Base-Base interactions energy: -370.425
where: short stacking energy: -177.883
Base-Backbone interact. energy: -0.056
local terms energy: -198.365588
where:
bonds (distance) C4'-P energy: -30.313
bonds (distance) P-C4' energy: -41.702
flat angles C4'-P-C4' energy: -37.061
flat angles P-C4'-P energy: -33.619
tors. eta vs tors. theta energy: -55.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -554.190522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.190522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.190522 (E_RNA)
where:
Base-Base interactions energy: -362.439
where: short stacking energy: -167.124
Base-Backbone interact. energy: -0.286
local terms energy: -191.464770
where:
bonds (distance) C4'-P energy: -39.352
bonds (distance) P-C4' energy: -37.327
flat angles C4'-P-C4' energy: -33.094
flat angles P-C4'-P energy: -27.515
tors. eta vs tors. theta energy: -54.177
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: 9
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -556.986980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.986980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.986980 (E_RNA)
where:
Base-Base interactions energy: -352.383
where: short stacking energy: -172.329
Base-Backbone interact. energy: -2.335
local terms energy: -202.268240
where:
bonds (distance) C4'-P energy: -36.401
bonds (distance) P-C4' energy: -36.323
flat angles C4'-P-C4' energy: -42.204
flat angles P-C4'-P energy: -28.906
tors. eta vs tors. theta energy: -58.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -207.914030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.914030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.914030 (E_RNA)
where:
Base-Base interactions energy: -88.485
where: short stacking energy: -48.768
Base-Backbone interact. energy: -0.625
local terms energy: -118.804714
where:
bonds (distance) C4'-P energy: -33.213
bonds (distance) P-C4' energy: -29.255
flat angles C4'-P-C4' energy: -34.525
flat angles P-C4'-P energy: -20.544
tors. eta vs tors. theta energy: -1.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -202.243969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.243969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.243969 (E_RNA)
where:
Base-Base interactions energy: -72.100
where: short stacking energy: -52.568
Base-Backbone interact. energy: -0.495
local terms energy: -129.648468
where:
bonds (distance) C4'-P energy: -37.736
bonds (distance) P-C4' energy: -38.053
flat angles C4'-P-C4' energy: -27.243
flat angles P-C4'-P energy: -23.368
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: 3
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -189.874000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.874000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.874000 (E_RNA)
where:
Base-Base interactions energy: -61.266
where: short stacking energy: -55.151
Base-Backbone interact. energy: 0.482
local terms energy: -129.089981
where:
bonds (distance) C4'-P energy: -35.762
bonds (distance) P-C4' energy: -40.925
flat angles C4'-P-C4' energy: -31.797
flat angles P-C4'-P energy: -16.695
tors. eta vs tors. theta energy: -3.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -172.503025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.503025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.503025 (E_RNA)
where:
Base-Base interactions energy: -74.870
where: short stacking energy: -57.310
Base-Backbone interact. energy: -0.936
local terms energy: -96.697147
where:
bonds (distance) C4'-P energy: -31.672
bonds (distance) P-C4' energy: -30.772
flat angles C4'-P-C4' energy: -26.571
flat angles P-C4'-P energy: -8.833
tors. eta vs tors. theta energy: 1.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -673.819945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.819945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.819945 (E_RNA)
where:
Base-Base interactions energy: -453.298
where: short stacking energy: -190.699
Base-Backbone interact. energy: 0.562
local terms energy: -221.084391
where:
bonds (distance) C4'-P energy: -39.491
bonds (distance) P-C4' energy: -40.216
flat angles C4'-P-C4' energy: -47.584
flat angles P-C4'-P energy: -36.443
tors. eta vs tors. theta energy: -57.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -647.563655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.563655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.563655 (E_RNA)
where:
Base-Base interactions energy: -434.151
where: short stacking energy: -206.550
Base-Backbone interact. energy: -1.102
local terms energy: -212.311023
where:
bonds (distance) C4'-P energy: -40.422
bonds (distance) P-C4' energy: -31.244
flat angles C4'-P-C4' energy: -41.037
flat angles P-C4'-P energy: -34.245
tors. eta vs tors. theta energy: -65.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -627.153784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.153784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.153784 (E_RNA)
where:
Base-Base interactions energy: -415.864
where: short stacking energy: -193.005
Base-Backbone interact. energy: -0.507
local terms energy: -210.782268
where:
bonds (distance) C4'-P energy: -34.264
bonds (distance) P-C4' energy: -37.311
flat angles C4'-P-C4' energy: -37.771
flat angles P-C4'-P energy: -34.307
tors. eta vs tors. theta energy: -67.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -588.250963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.250963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.250963 (E_RNA)
where:
Base-Base interactions energy: -383.711
where: short stacking energy: -186.433
Base-Backbone interact. energy: -0.694
local terms energy: -203.846111
where:
bonds (distance) C4'-P energy: -36.777
bonds (distance) P-C4' energy: -31.261
flat angles C4'-P-C4' energy: -45.637
flat angles P-C4'-P energy: -28.553
tors. eta vs tors. theta energy: -61.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -562.052780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.052780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.052780 (E_RNA)
where:
Base-Base interactions energy: -375.645
where: short stacking energy: -191.215
Base-Backbone interact. energy: -0.082
local terms energy: -186.325712
where:
bonds (distance) C4'-P energy: -34.106
bonds (distance) P-C4' energy: -34.003
flat angles C4'-P-C4' energy: -37.044
flat angles P-C4'-P energy: -26.321
tors. eta vs tors. theta energy: -54.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -563.083599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.083599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.083599 (E_RNA)
where:
Base-Base interactions energy: -386.985
where: short stacking energy: -180.345
Base-Backbone interact. energy: -0.192
local terms energy: -175.907186
where:
bonds (distance) C4'-P energy: -27.251
bonds (distance) P-C4' energy: -29.708
flat angles C4'-P-C4' energy: -41.013
flat angles P-C4'-P energy: -28.753
tors. eta vs tors. theta energy: -49.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -221.036661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.036661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.036661 (E_RNA)
where:
Base-Base interactions energy: -95.355
where: short stacking energy: -78.331
Base-Backbone interact. energy: -1.029
local terms energy: -124.652508
where:
bonds (distance) C4'-P energy: -36.151
bonds (distance) P-C4' energy: -35.840
flat angles C4'-P-C4' energy: -29.543
flat angles P-C4'-P energy: -17.214
tors. eta vs tors. theta energy: -5.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -213.518851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.518851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.518851 (E_RNA)
where:
Base-Base interactions energy: -87.462
where: short stacking energy: -85.335
Base-Backbone interact. energy: -0.710
local terms energy: -125.346749
where:
bonds (distance) C4'-P energy: -27.809
bonds (distance) P-C4' energy: -34.488
flat angles C4'-P-C4' energy: -38.244
flat angles P-C4'-P energy: -11.207
tors. eta vs tors. theta energy: -13.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -191.898327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.898327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.898327 (E_RNA)
where:
Base-Base interactions energy: -75.940
where: short stacking energy: -49.148
Base-Backbone interact. energy: -0.347
local terms energy: -115.610950
where:
bonds (distance) C4'-P energy: -37.227
bonds (distance) P-C4' energy: -34.602
flat angles C4'-P-C4' energy: -36.171
flat angles P-C4'-P energy: -10.599
tors. eta vs tors. theta energy: 2.988
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: 1
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -185.441087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.441087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.441087 (E_RNA)
where:
Base-Base interactions energy: -74.577
where: short stacking energy: -55.843
Base-Backbone interact. energy: -1.747
local terms energy: -109.116797
where:
bonds (distance) C4'-P energy: -32.536
bonds (distance) P-C4' energy: -33.977
flat angles C4'-P-C4' energy: -28.777
flat angles P-C4'-P energy: -12.497
tors. eta vs tors. theta energy: -1.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -649.396304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.396304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.396304 (E_RNA)
where:
Base-Base interactions energy: -436.840
where: short stacking energy: -190.726
Base-Backbone interact. energy: -0.656
local terms energy: -211.899700
where:
bonds (distance) C4'-P energy: -41.820
bonds (distance) P-C4' energy: -39.357
flat angles C4'-P-C4' energy: -45.066
flat angles P-C4'-P energy: -27.486
tors. eta vs tors. theta energy: -58.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -642.095357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.095357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.095357 (E_RNA)
where:
Base-Base interactions energy: -424.872
where: short stacking energy: -189.824
Base-Backbone interact. energy: -0.329
local terms energy: -216.894899
where:
bonds (distance) C4'-P energy: -40.862
bonds (distance) P-C4' energy: -42.653
flat angles C4'-P-C4' energy: -49.044
flat angles P-C4'-P energy: -31.901
tors. eta vs tors. theta energy: -52.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -606.905347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.905347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.905347 (E_RNA)
where:
Base-Base interactions energy: -399.108
where: short stacking energy: -191.498
Base-Backbone interact. energy: -0.649
local terms energy: -207.148193
where:
bonds (distance) C4'-P energy: -32.335
bonds (distance) P-C4' energy: -36.352
flat angles C4'-P-C4' energy: -39.469
flat angles P-C4'-P energy: -36.490
tors. eta vs tors. theta energy: -62.503
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: 6
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -619.003919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.003919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.003919 (E_RNA)
where:
Base-Base interactions energy: -416.284
where: short stacking energy: -177.750
Base-Backbone interact. energy: -0.872
local terms energy: -201.848169
where:
bonds (distance) C4'-P energy: -34.455
bonds (distance) P-C4' energy: -36.939
flat angles C4'-P-C4' energy: -45.361
flat angles P-C4'-P energy: -26.676
tors. eta vs tors. theta energy: -58.417
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: 9
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -560.122193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.122193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.122193 (E_RNA)
where:
Base-Base interactions energy: -363.844
where: short stacking energy: -171.282
Base-Backbone interact. energy: 0.999
local terms energy: -197.277266
where:
bonds (distance) C4'-P energy: -39.965
bonds (distance) P-C4' energy: -34.140
flat angles C4'-P-C4' energy: -40.723
flat angles P-C4'-P energy: -30.789
tors. eta vs tors. theta energy: -51.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -549.443557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.443557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.443557 (E_RNA)
where:
Base-Base interactions energy: -359.643
where: short stacking energy: -162.411
Base-Backbone interact. energy: -0.196
local terms energy: -189.605423
where:
bonds (distance) C4'-P energy: -35.858
bonds (distance) P-C4' energy: -29.242
flat angles C4'-P-C4' energy: -43.464
flat angles P-C4'-P energy: -32.789
tors. eta vs tors. theta energy: -48.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -230.896073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.896073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.896073 (E_RNA)
where:
Base-Base interactions energy: -86.773
where: short stacking energy: -83.140
Base-Backbone interact. energy: -1.545
local terms energy: -142.577264
where:
bonds (distance) C4'-P energy: -43.286
bonds (distance) P-C4' energy: -30.189
flat angles C4'-P-C4' energy: -34.024
flat angles P-C4'-P energy: -27.123
tors. eta vs tors. theta energy: -7.955
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: 8, replica: 3
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -193.873990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.873990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.873990 (E_RNA)
where:
Base-Base interactions energy: -63.949
where: short stacking energy: -46.052
Base-Backbone interact. energy: -0.659
local terms energy: -129.266223
where:
bonds (distance) C4'-P energy: -37.991
bonds (distance) P-C4' energy: -34.512
flat angles C4'-P-C4' energy: -32.148
flat angles P-C4'-P energy: -25.362
tors. eta vs tors. theta energy: 0.748
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: 9, replica: 5
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -250.959989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.959989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.959989 (E_RNA)
where:
Base-Base interactions energy: -127.427
where: short stacking energy: -85.715
Base-Backbone interact. energy: -1.138
local terms energy: -122.394523
where:
bonds (distance) C4'-P energy: -24.528
bonds (distance) P-C4' energy: -32.398
flat angles C4'-P-C4' energy: -26.983
flat angles P-C4'-P energy: -26.146
tors. eta vs tors. theta energy: -12.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -184.706712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.706712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.706712 (E_RNA)
where:
Base-Base interactions energy: -67.726
where: short stacking energy: -60.429
Base-Backbone interact. energy: 0.209
local terms energy: -117.189992
where:
bonds (distance) C4'-P energy: -33.182
bonds (distance) P-C4' energy: -32.539
flat angles C4'-P-C4' energy: -26.002
flat angles P-C4'-P energy: -25.341
tors. eta vs tors. theta energy: -0.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -643.517935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.517935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.517935 (E_RNA)
where:
Base-Base interactions energy: -433.275
where: short stacking energy: -182.939
Base-Backbone interact. energy: -0.359
local terms energy: -209.884263
where:
bonds (distance) C4'-P energy: -43.883
bonds (distance) P-C4' energy: -36.890
flat angles C4'-P-C4' energy: -41.259
flat angles P-C4'-P energy: -31.596
tors. eta vs tors. theta energy: -56.256
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: 2, replica: 4
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -645.770375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.770375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.770375 (E_RNA)
where:
Base-Base interactions energy: -436.602
where: short stacking energy: -198.480
Base-Backbone interact. energy: -0.212
local terms energy: -208.957124
where:
bonds (distance) C4'-P energy: -40.461
bonds (distance) P-C4' energy: -40.155
flat angles C4'-P-C4' energy: -42.863
flat angles P-C4'-P energy: -27.352
tors. eta vs tors. theta energy: -58.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -586.226620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.226620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.226620 (E_RNA)
where:
Base-Base interactions energy: -383.627
where: short stacking energy: -179.077
Base-Backbone interact. energy: -1.136
local terms energy: -201.464483
where:
bonds (distance) C4'-P energy: -32.477
bonds (distance) P-C4' energy: -38.613
flat angles C4'-P-C4' energy: -42.321
flat angles P-C4'-P energy: -34.643
tors. eta vs tors. theta energy: -53.411
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: 6
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -598.223965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.223965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.223965 (E_RNA)
where:
Base-Base interactions energy: -399.555
where: short stacking energy: -163.188
Base-Backbone interact. energy: -0.563
local terms energy: -198.106101
where:
bonds (distance) C4'-P energy: -37.385
bonds (distance) P-C4' energy: -40.877
flat angles C4'-P-C4' energy: -40.845
flat angles P-C4'-P energy: -25.466
tors. eta vs tors. theta energy: -53.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -572.474341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.474341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.474341 (E_RNA)
where:
Base-Base interactions energy: -369.058
where: short stacking energy: -185.613
Base-Backbone interact. energy: -1.219
local terms energy: -202.197109
where:
bonds (distance) C4'-P energy: -36.084
bonds (distance) P-C4' energy: -33.414
flat angles C4'-P-C4' energy: -46.396
flat angles P-C4'-P energy: -26.199
tors. eta vs tors. theta energy: -60.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -541.779266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.779266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.779266 (E_RNA)
where:
Base-Base interactions energy: -354.729
where: short stacking energy: -171.615
Base-Backbone interact. energy: -1.058
local terms energy: -185.992083
where:
bonds (distance) C4'-P energy: -32.688
bonds (distance) P-C4' energy: -37.965
flat angles C4'-P-C4' energy: -37.326
flat angles P-C4'-P energy: -30.514
tors. eta vs tors. theta energy: -47.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -229.051487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.051487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.051487 (E_RNA)
where:
Base-Base interactions energy: -104.306
where: short stacking energy: -56.668
Base-Backbone interact. energy: -0.421
local terms energy: -124.324606
where:
bonds (distance) C4'-P energy: -42.112
bonds (distance) P-C4' energy: -38.755
flat angles C4'-P-C4' energy: -19.746
flat angles P-C4'-P energy: -24.722
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: 8, replica: 3
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -184.288313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.288313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.288313 (E_RNA)
where:
Base-Base interactions energy: -57.458
where: short stacking energy: -44.425
Base-Backbone interact. energy: -0.503
local terms energy: -126.327451
where:
bonds (distance) C4'-P energy: -33.440
bonds (distance) P-C4' energy: -38.376
flat angles C4'-P-C4' energy: -32.611
flat angles P-C4'-P energy: -18.612
tors. eta vs tors. theta energy: -3.288
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: 293
Temperature: 1.300000
Total energy: -168.788479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.788479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.788479 (E_RNA)
where:
Base-Base interactions energy: -58.646
where: short stacking energy: -44.530
Base-Backbone interact. energy: -0.797
local terms energy: -109.345056
where:
bonds (distance) C4'-P energy: -30.004
bonds (distance) P-C4' energy: -38.627
flat angles C4'-P-C4' energy: -27.684
flat angles P-C4'-P energy: -18.088
tors. eta vs tors. theta energy: 5.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -164.043749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.043749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.043749 (E_RNA)
where:
Base-Base interactions energy: -45.920
where: short stacking energy: -44.459
Base-Backbone interact. energy: -1.793
local terms energy: -116.330704
where:
bonds (distance) C4'-P energy: -29.572
bonds (distance) P-C4' energy: -36.389
flat angles C4'-P-C4' energy: -34.722
flat angles P-C4'-P energy: -22.558
tors. eta vs tors. theta energy: 6.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -666.104793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.104793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.104793 (E_RNA)
where:
Base-Base interactions energy: -435.686
where: short stacking energy: -195.109
Base-Backbone interact. energy: -0.538
local terms energy: -229.881365
where:
bonds (distance) C4'-P energy: -40.218
bonds (distance) P-C4' energy: -40.903
flat angles C4'-P-C4' energy: -47.006
flat angles P-C4'-P energy: -33.612
tors. eta vs tors. theta energy: -68.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -633.821807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.821807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.821807 (E_RNA)
where:
Base-Base interactions energy: -428.799
where: short stacking energy: -167.084
Base-Backbone interact. energy: -0.454
local terms energy: -204.568348
where:
bonds (distance) C4'-P energy: -39.320
bonds (distance) P-C4' energy: -44.375
flat angles C4'-P-C4' energy: -36.146
flat angles P-C4'-P energy: -29.486
tors. eta vs tors. theta energy: -55.241
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: 3, replica: 6
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -638.047956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.047956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.047956 (E_RNA)
where:
Base-Base interactions energy: -413.835
where: short stacking energy: -197.809
Base-Backbone interact. energy: -1.212
local terms energy: -223.001021
where:
bonds (distance) C4'-P energy: -43.786
bonds (distance) P-C4' energy: -35.363
flat angles C4'-P-C4' energy: -46.347
flat angles P-C4'-P energy: -34.660
tors. eta vs tors. theta energy: -62.844
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: 4, replica: 7
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -570.393829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.393829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.393829 (E_RNA)
where:
Base-Base interactions energy: -376.476
where: short stacking energy: -197.542
Base-Backbone interact. energy: -1.083
local terms energy: -192.835173
where:
bonds (distance) C4'-P energy: -37.469
bonds (distance) P-C4' energy: -36.347
flat angles C4'-P-C4' energy: -40.839
flat angles P-C4'-P energy: -24.653
tors. eta vs tors. theta energy: -53.527
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: 8
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -558.585432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.585432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.585432 (E_RNA)
where:
Base-Base interactions energy: -366.021
where: short stacking energy: -178.229
Base-Backbone interact. energy: 0.315
local terms energy: -192.880270
where:
bonds (distance) C4'-P energy: -38.888
bonds (distance) P-C4' energy: -38.373
flat angles C4'-P-C4' energy: -38.706
flat angles P-C4'-P energy: -20.009
tors. eta vs tors. theta energy: -56.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -544.561150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.561150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.561150 (E_RNA)
where:
Base-Base interactions energy: -350.806
where: short stacking energy: -169.555
Base-Backbone interact. energy: -0.177
local terms energy: -193.578176
where:
bonds (distance) C4'-P energy: -36.572
bonds (distance) P-C4' energy: -35.667
flat angles C4'-P-C4' energy: -40.526
flat angles P-C4'-P energy: -27.496
tors. eta vs tors. theta energy: -53.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -233.568718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.568718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.568718 (E_RNA)
where:
Base-Base interactions energy: -110.574
where: short stacking energy: -53.254
Base-Backbone interact. energy: 0.307
local terms energy: -123.301862
where:
bonds (distance) C4'-P energy: -38.706
bonds (distance) P-C4' energy: -35.389
flat angles C4'-P-C4' energy: -27.476
flat angles P-C4'-P energy: -23.780
tors. eta vs tors. theta energy: 2.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -212.004451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.004451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.004451 (E_RNA)
where:
Base-Base interactions energy: -87.364
where: short stacking energy: -67.450
Base-Backbone interact. energy: 0.786
local terms energy: -125.426430
where:
bonds (distance) C4'-P energy: -39.984
bonds (distance) P-C4' energy: -26.247
flat angles C4'-P-C4' energy: -40.713
flat angles P-C4'-P energy: -17.137
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: 9, replica: 1
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -190.658858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.658858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.658858 (E_RNA)
where:
Base-Base interactions energy: -58.770
where: short stacking energy: -54.295
Base-Backbone interact. energy: -0.929
local terms energy: -130.960315
where:
bonds (distance) C4'-P energy: -35.936
bonds (distance) P-C4' energy: -33.800
flat angles C4'-P-C4' energy: -39.792
flat angles P-C4'-P energy: -20.486
tors. eta vs tors. theta energy: -0.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -169.013767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.013767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.013767 (E_RNA)
where:
Base-Base interactions energy: -58.251
where: short stacking energy: -50.188
Base-Backbone interact. energy: -0.560
local terms energy: -110.202839
where:
bonds (distance) C4'-P energy: -34.394
bonds (distance) P-C4' energy: -27.912
flat angles C4'-P-C4' energy: -34.008
flat angles P-C4'-P energy: -15.910
tors. eta vs tors. theta energy: 2.021
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: 4
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -671.332351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.332351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.332351 (E_RNA)
where:
Base-Base interactions energy: -440.193
where: short stacking energy: -201.550
Base-Backbone interact. energy: -0.384
local terms energy: -230.755179
where:
bonds (distance) C4'-P energy: -43.439
bonds (distance) P-C4' energy: -38.813
flat angles C4'-P-C4' energy: -49.152
flat angles P-C4'-P energy: -32.868
tors. eta vs tors. theta energy: -66.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -655.531431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.531431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.531431 (E_RNA)
where:
Base-Base interactions energy: -443.666
where: short stacking energy: -198.783
Base-Backbone interact. energy: -1.016
local terms energy: -210.849302
where:
bonds (distance) C4'-P energy: -33.703
bonds (distance) P-C4' energy: -42.400
flat angles C4'-P-C4' energy: -42.489
flat angles P-C4'-P energy: -27.013
tors. eta vs tors. theta energy: -65.244
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: 2
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -624.173241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.173241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.173241 (E_RNA)
where:
Base-Base interactions energy: -427.716
where: short stacking energy: -188.446
Base-Backbone interact. energy: -0.335
local terms energy: -196.122814
where:
bonds (distance) C4'-P energy: -31.873
bonds (distance) P-C4' energy: -40.193
flat angles C4'-P-C4' energy: -40.960
flat angles P-C4'-P energy: -23.979
tors. eta vs tors. theta energy: -59.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -583.397062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.397062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.397062 (E_RNA)
where:
Base-Base interactions energy: -385.110
where: short stacking energy: -179.140
Base-Backbone interact. energy: -0.294
local terms energy: -197.993248
where:
bonds (distance) C4'-P energy: -40.128
bonds (distance) P-C4' energy: -38.406
flat angles C4'-P-C4' energy: -38.686
flat angles P-C4'-P energy: -25.915
tors. eta vs tors. theta energy: -54.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -566.308948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.308948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.308948 (E_RNA)
where:
Base-Base interactions energy: -377.959
where: short stacking energy: -176.004
Base-Backbone interact. energy: -0.417
local terms energy: -187.933860
where:
bonds (distance) C4'-P energy: -24.289
bonds (distance) P-C4' energy: -38.323
flat angles C4'-P-C4' energy: -40.389
flat angles P-C4'-P energy: -29.338
tors. eta vs tors. theta energy: -55.595
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: 9
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -564.317386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.317386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.317386 (E_RNA)
where:
Base-Base interactions energy: -371.613
where: short stacking energy: -167.978
Base-Backbone interact. energy: -0.078
local terms energy: -192.626468
where:
bonds (distance) C4'-P energy: -34.106
bonds (distance) P-C4' energy: -25.082
flat angles C4'-P-C4' energy: -45.892
flat angles P-C4'-P energy: -29.674
tors. eta vs tors. theta energy: -57.872
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: 3
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -278.311975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.311975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.311975 (E_RNA)
where:
Base-Base interactions energy: -142.375
where: short stacking energy: -81.747
Base-Backbone interact. energy: -0.150
local terms energy: -135.786924
where:
bonds (distance) C4'-P energy: -38.763
bonds (distance) P-C4' energy: -36.775
flat angles C4'-P-C4' energy: -27.498
flat angles P-C4'-P energy: -27.157
tors. eta vs tors. theta energy: -5.593
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: 8, replica: 1
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -285.342816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.342816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.342816 (E_RNA)
where:
Base-Base interactions energy: -146.026
where: short stacking energy: -74.459
Base-Backbone interact. energy: -0.433
local terms energy: -138.883972
where:
bonds (distance) C4'-P energy: -36.974
bonds (distance) P-C4' energy: -40.050
flat angles C4'-P-C4' energy: -30.803
flat angles P-C4'-P energy: -20.433
tors. eta vs tors. theta energy: -10.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -191.325841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.325841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.325841 (E_RNA)
where:
Base-Base interactions energy: -71.203
where: short stacking energy: -66.795
Base-Backbone interact. energy: 5.751
local terms energy: -125.873853
where:
bonds (distance) C4'-P energy: -31.639
bonds (distance) P-C4' energy: -39.192
flat angles C4'-P-C4' energy: -23.398
flat angles P-C4'-P energy: -21.757
tors. eta vs tors. theta energy: -9.887
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: 5
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -169.760171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.760171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.760171 (E_RNA)
where:
Base-Base interactions energy: -60.069
where: short stacking energy: -55.353
Base-Backbone interact. energy: 2.261
local terms energy: -111.952044
where:
bonds (distance) C4'-P energy: -33.048
bonds (distance) P-C4' energy: -34.955
flat angles C4'-P-C4' energy: -16.569
flat angles P-C4'-P energy: -16.423
tors. eta vs tors. theta energy: -10.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -653.648786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.648786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.648786 (E_RNA)
where:
Base-Base interactions energy: -439.893
where: short stacking energy: -199.309
Base-Backbone interact. energy: -0.722
local terms energy: -213.032980
where:
bonds (distance) C4'-P energy: -35.017
bonds (distance) P-C4' energy: -38.134
flat angles C4'-P-C4' energy: -42.757
flat angles P-C4'-P energy: -33.376
tors. eta vs tors. theta energy: -63.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -656.950879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.950879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.950879 (E_RNA)
where:
Base-Base interactions energy: -446.397
where: short stacking energy: -193.451
Base-Backbone interact. energy: 0.041
local terms energy: -210.595317
where:
bonds (distance) C4'-P energy: -43.797
bonds (distance) P-C4' energy: -40.212
flat angles C4'-P-C4' energy: -36.208
flat angles P-C4'-P energy: -26.127
tors. eta vs tors. theta energy: -64.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -622.509082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.509082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.509082 (E_RNA)
where:
Base-Base interactions energy: -420.553
where: short stacking energy: -178.533
Base-Backbone interact. energy: -0.743
local terms energy: -201.212668
where:
bonds (distance) C4'-P energy: -40.385
bonds (distance) P-C4' energy: -39.825
flat angles C4'-P-C4' energy: -32.336
flat angles P-C4'-P energy: -31.148
tors. eta vs tors. theta energy: -57.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -580.160332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.160332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.160332 (E_RNA)
where:
Base-Base interactions energy: -374.592
where: short stacking energy: -166.837
Base-Backbone interact. energy: -0.737
local terms energy: -204.831590
where:
bonds (distance) C4'-P energy: -42.463
bonds (distance) P-C4' energy: -37.755
flat angles C4'-P-C4' energy: -39.741
flat angles P-C4'-P energy: -29.656
tors. eta vs tors. theta energy: -55.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -570.661982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.661982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.661982 (E_RNA)
where:
Base-Base interactions energy: -375.799
where: short stacking energy: -181.841
Base-Backbone interact. energy: -0.350
local terms energy: -194.512733
where:
bonds (distance) C4'-P energy: -39.816
bonds (distance) P-C4' energy: -41.308
flat angles C4'-P-C4' energy: -39.415
flat angles P-C4'-P energy: -19.118
tors. eta vs tors. theta energy: -54.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -544.221969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.221969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.221969 (E_RNA)
where:
Base-Base interactions energy: -349.677
where: short stacking energy: -168.933
Base-Backbone interact. energy: -0.430
local terms energy: -194.114839
where:
bonds (distance) C4'-P energy: -32.341
bonds (distance) P-C4' energy: -34.840
flat angles C4'-P-C4' energy: -39.685
flat angles P-C4'-P energy: -34.526
tors. eta vs tors. theta energy: -52.723
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: 7, replica: 1
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -328.681817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.681817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.681817 (E_RNA)
where:
Base-Base interactions energy: -181.925
where: short stacking energy: -101.336
Base-Backbone interact. energy: 1.368
local terms energy: -148.125403
where:
bonds (distance) C4'-P energy: -33.056
bonds (distance) P-C4' energy: -35.619
flat angles C4'-P-C4' energy: -31.765
flat angles P-C4'-P energy: -19.624
tors. eta vs tors. theta energy: -28.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -252.283098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.283098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.283098 (E_RNA)
where:
Base-Base interactions energy: -123.471
where: short stacking energy: -78.384
Base-Backbone interact. energy: -1.855
local terms energy: -126.957560
where:
bonds (distance) C4'-P energy: -27.801
bonds (distance) P-C4' energy: -38.711
flat angles C4'-P-C4' energy: -34.197
flat angles P-C4'-P energy: -14.079
tors. eta vs tors. theta energy: -12.169
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: 10
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -185.657148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.657148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.657148 (E_RNA)
where:
Base-Base interactions energy: -78.224
where: short stacking energy: -64.814
Base-Backbone interact. energy: 2.113
local terms energy: -109.546550
where:
bonds (distance) C4'-P energy: -25.338
bonds (distance) P-C4' energy: -40.210
flat angles C4'-P-C4' energy: -31.347
flat angles P-C4'-P energy: -15.180
tors. eta vs tors. theta energy: 2.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -163.648238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.648238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.648238 (E_RNA)
where:
Base-Base interactions energy: -44.402
where: short stacking energy: -34.803
Base-Backbone interact. energy: -0.617
local terms energy: -118.628948
where:
bonds (distance) C4'-P energy: -36.470
bonds (distance) P-C4' energy: -40.569
flat angles C4'-P-C4' energy: -34.045
flat angles P-C4'-P energy: -17.535
tors. eta vs tors. theta energy: 9.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -665.054428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.054428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.054428 (E_RNA)
where:
Base-Base interactions energy: -443.497
where: short stacking energy: -196.223
Base-Backbone interact. energy: 1.189
local terms energy: -222.746490
where:
bonds (distance) C4'-P energy: -37.869
bonds (distance) P-C4' energy: -40.275
flat angles C4'-P-C4' energy: -48.115
flat angles P-C4'-P energy: -32.875
tors. eta vs tors. theta energy: -63.612
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: 6
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -633.230502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.230502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.230502 (E_RNA)
where:
Base-Base interactions energy: -434.061
where: short stacking energy: -195.550
Base-Backbone interact. energy: -0.242
local terms energy: -198.928036
where:
bonds (distance) C4'-P energy: -31.890
bonds (distance) P-C4' energy: -36.475
flat angles C4'-P-C4' energy: -47.938
flat angles P-C4'-P energy: -24.060
tors. eta vs tors. theta energy: -58.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -633.261592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.261592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.261592 (E_RNA)
where:
Base-Base interactions energy: -424.093
where: short stacking energy: -196.587
Base-Backbone interact. energy: -1.186
local terms energy: -207.982728
where:
bonds (distance) C4'-P energy: -38.078
bonds (distance) P-C4' energy: -39.622
flat angles C4'-P-C4' energy: -44.296
flat angles P-C4'-P energy: -27.445
tors. eta vs tors. theta energy: -58.542
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: 8
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -569.143887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.143887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.143887 (E_RNA)
where:
Base-Base interactions energy: -361.766
where: short stacking energy: -175.523
Base-Backbone interact. energy: -0.349
local terms energy: -207.029524
where:
bonds (distance) C4'-P energy: -37.792
bonds (distance) P-C4' energy: -35.094
flat angles C4'-P-C4' energy: -45.384
flat angles P-C4'-P energy: -32.639
tors. eta vs tors. theta energy: -56.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -573.674457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.674457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.674457 (E_RNA)
where:
Base-Base interactions energy: -373.982
where: short stacking energy: -171.218
Base-Backbone interact. energy: -0.881
local terms energy: -198.811565
where:
bonds (distance) C4'-P energy: -32.639
bonds (distance) P-C4' energy: -40.073
flat angles C4'-P-C4' energy: -40.006
flat angles P-C4'-P energy: -29.453
tors. eta vs tors. theta energy: -56.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -552.516388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.516388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.516388 (E_RNA)
where:
Base-Base interactions energy: -357.060
where: short stacking energy: -182.340
Base-Backbone interact. energy: -0.243
local terms energy: -195.213114
where:
bonds (distance) C4'-P energy: -38.868
bonds (distance) P-C4' energy: -36.821
flat angles C4'-P-C4' energy: -42.743
flat angles P-C4'-P energy: -22.398
tors. eta vs tors. theta energy: -54.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -315.978820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.978820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.978820 (E_RNA)
where:
Base-Base interactions energy: -165.696
where: short stacking energy: -80.309
Base-Backbone interact. energy: 1.658
local terms energy: -151.940642
where:
bonds (distance) C4'-P energy: -36.702
bonds (distance) P-C4' energy: -35.982
flat angles C4'-P-C4' energy: -32.825
flat angles P-C4'-P energy: -26.385
tors. eta vs tors. theta energy: -20.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -188.508304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.508304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.508304 (E_RNA)
where:
Base-Base interactions energy: -60.304
where: short stacking energy: -47.283
Base-Backbone interact. energy: -0.053
local terms energy: -128.151534
where:
bonds (distance) C4'-P energy: -33.306
bonds (distance) P-C4' energy: -34.836
flat angles C4'-P-C4' energy: -36.594
flat angles P-C4'-P energy: -19.684
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: 9, replica: 3
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -190.852826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.852826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.852826 (E_RNA)
where:
Base-Base interactions energy: -59.582
where: short stacking energy: -57.885
Base-Backbone interact. energy: 0.346
local terms energy: -131.616562
where:
bonds (distance) C4'-P energy: -40.712
bonds (distance) P-C4' energy: -43.490
flat angles C4'-P-C4' energy: -32.431
flat angles P-C4'-P energy: -12.127
tors. eta vs tors. theta energy: -2.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -167.014126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.014126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.014126 (E_RNA)
where:
Base-Base interactions energy: -48.067
where: short stacking energy: -30.503
Base-Backbone interact. energy: 4.573
local terms energy: -123.519940
where:
bonds (distance) C4'-P energy: -40.112
bonds (distance) P-C4' energy: -35.558
flat angles C4'-P-C4' energy: -31.021
flat angles P-C4'-P energy: -22.834
tors. eta vs tors. theta energy: 6.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -663.677999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.677999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.677999 (E_RNA)
where:
Base-Base interactions energy: -465.541
where: short stacking energy: -204.381
Base-Backbone interact. energy: 0.656
local terms energy: -198.793109
where:
bonds (distance) C4'-P energy: -36.870
bonds (distance) P-C4' energy: -28.782
flat angles C4'-P-C4' energy: -41.708
flat angles P-C4'-P energy: -32.140
tors. eta vs tors. theta energy: -59.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -655.924514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.924514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.924514 (E_RNA)
where:
Base-Base interactions energy: -432.841
where: short stacking energy: -194.573
Base-Backbone interact. energy: -1.406
local terms energy: -221.677220
where:
bonds (distance) C4'-P energy: -38.814
bonds (distance) P-C4' energy: -44.084
flat angles C4'-P-C4' energy: -45.525
flat angles P-C4'-P energy: -34.036
tors. eta vs tors. theta energy: -59.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -642.976283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.976283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.976283 (E_RNA)
where:
Base-Base interactions energy: -431.624
where: short stacking energy: -181.501
Base-Backbone interact. energy: -0.772
local terms energy: -210.580240
where:
bonds (distance) C4'-P energy: -42.282
bonds (distance) P-C4' energy: -40.209
flat angles C4'-P-C4' energy: -43.757
flat angles P-C4'-P energy: -29.754
tors. eta vs tors. theta energy: -54.579
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: 4, replica: 8
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -555.639159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.639159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.639159 (E_RNA)
where:
Base-Base interactions energy: -354.859
where: short stacking energy: -164.316
Base-Backbone interact. energy: -0.864
local terms energy: -199.915668
where:
bonds (distance) C4'-P energy: -35.163
bonds (distance) P-C4' energy: -36.959
flat angles C4'-P-C4' energy: -45.158
flat angles P-C4'-P energy: -33.291
tors. eta vs tors. theta energy: -49.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -584.381740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.381740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.381740 (E_RNA)
where:
Base-Base interactions energy: -387.015
where: short stacking energy: -186.270
Base-Backbone interact. energy: -0.589
local terms energy: -196.777907
where:
bonds (distance) C4'-P energy: -33.475
bonds (distance) P-C4' energy: -33.444
flat angles C4'-P-C4' energy: -42.550
flat angles P-C4'-P energy: -27.218
tors. eta vs tors. theta energy: -60.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -547.869886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.869886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.869886 (E_RNA)
where:
Base-Base interactions energy: -357.411
where: short stacking energy: -171.955
Base-Backbone interact. energy: -0.732
local terms energy: -189.726881
where:
bonds (distance) C4'-P energy: -36.816
bonds (distance) P-C4' energy: -32.997
flat angles C4'-P-C4' energy: -40.017
flat angles P-C4'-P energy: -26.693
tors. eta vs tors. theta energy: -53.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -325.252189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.252189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.252189 (E_RNA)
where:
Base-Base interactions energy: -172.767
where: short stacking energy: -91.996
Base-Backbone interact. energy: -1.195
local terms energy: -151.289808
where:
bonds (distance) C4'-P energy: -36.445
bonds (distance) P-C4' energy: -32.653
flat angles C4'-P-C4' energy: -32.138
flat angles P-C4'-P energy: -26.148
tors. eta vs tors. theta energy: -23.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -193.832212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.832212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.832212 (E_RNA)
where:
Base-Base interactions energy: -72.528
where: short stacking energy: -67.693
Base-Backbone interact. energy: 4.034
local terms energy: -125.338187
where:
bonds (distance) C4'-P energy: -26.560
bonds (distance) P-C4' energy: -35.649
flat angles C4'-P-C4' energy: -34.718
flat angles P-C4'-P energy: -19.074
tors. eta vs tors. theta energy: -9.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -182.924489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.924489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.924489 (E_RNA)
where:
Base-Base interactions energy: -71.590
where: short stacking energy: -56.566
Base-Backbone interact. energy: -1.455
local terms energy: -109.878822
where:
bonds (distance) C4'-P energy: -25.209
bonds (distance) P-C4' energy: -30.357
flat angles C4'-P-C4' energy: -32.455
flat angles P-C4'-P energy: -18.542
tors. eta vs tors. theta energy: -3.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -209.664927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.664927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.664927 (E_RNA)
where:
Base-Base interactions energy: -94.889
where: short stacking energy: -63.228
Base-Backbone interact. energy: -0.506
local terms energy: -114.269981
where:
bonds (distance) C4'-P energy: -40.232
bonds (distance) P-C4' energy: -36.586
flat angles C4'-P-C4' energy: -17.044
flat angles P-C4'-P energy: -15.438
tors. eta vs tors. theta energy: -4.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -674.896961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.896961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.896961 (E_RNA)
where:
Base-Base interactions energy: -455.093
where: short stacking energy: -207.828
Base-Backbone interact. energy: -1.844
local terms energy: -217.960257
where:
bonds (distance) C4'-P energy: -42.656
bonds (distance) P-C4' energy: -39.126
flat angles C4'-P-C4' energy: -41.998
flat angles P-C4'-P energy: -31.752
tors. eta vs tors. theta energy: -62.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -639.422998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.422998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.422998 (E_RNA)
where:
Base-Base interactions energy: -431.214
where: short stacking energy: -193.880
Base-Backbone interact. energy: -0.841
local terms energy: -207.368094
where:
bonds (distance) C4'-P energy: -37.707
bonds (distance) P-C4' energy: -44.182
flat angles C4'-P-C4' energy: -42.873
flat angles P-C4'-P energy: -24.463
tors. eta vs tors. theta energy: -58.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -658.794538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.794538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.794538 (E_RNA)
where:
Base-Base interactions energy: -435.282
where: short stacking energy: -200.638
Base-Backbone interact. energy: 0.902
local terms energy: -224.414900
where:
bonds (distance) C4'-P energy: -44.756
bonds (distance) P-C4' energy: -38.257
flat angles C4'-P-C4' energy: -46.467
flat angles P-C4'-P energy: -35.609
tors. eta vs tors. theta energy: -59.326
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: 7
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -581.184015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.184015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.184015 (E_RNA)
where:
Base-Base interactions energy: -369.246
where: short stacking energy: -182.204
Base-Backbone interact. energy: -0.864
local terms energy: -211.073746
where:
bonds (distance) C4'-P energy: -45.598
bonds (distance) P-C4' energy: -40.703
flat angles C4'-P-C4' energy: -40.318
flat angles P-C4'-P energy: -30.885
tors. eta vs tors. theta energy: -53.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -566.624610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.624610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.624610 (E_RNA)
where:
Base-Base interactions energy: -363.823
where: short stacking energy: -171.321
Base-Backbone interact. energy: -0.414
local terms energy: -202.387920
where:
bonds (distance) C4'-P energy: -37.549
bonds (distance) P-C4' energy: -32.247
flat angles C4'-P-C4' energy: -46.212
flat angles P-C4'-P energy: -31.212
tors. eta vs tors. theta energy: -55.168
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: 9
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -533.279748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.279748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.279748 (E_RNA)
where:
Base-Base interactions energy: -362.058
where: short stacking energy: -173.311
Base-Backbone interact. energy: -0.481
local terms energy: -170.741443
where:
bonds (distance) C4'-P energy: -25.855
bonds (distance) P-C4' energy: -28.395
flat angles C4'-P-C4' energy: -39.141
flat angles P-C4'-P energy: -23.398
tors. eta vs tors. theta energy: -53.952
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: 1
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -340.320713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.320713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.320713 (E_RNA)
where:
Base-Base interactions energy: -203.431
where: short stacking energy: -93.773
Base-Backbone interact. energy: -1.273
local terms energy: -135.616294
where:
bonds (distance) C4'-P energy: -31.959
bonds (distance) P-C4' energy: -40.710
flat angles C4'-P-C4' energy: -27.512
flat angles P-C4'-P energy: -20.656
tors. eta vs tors. theta energy: -14.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -229.324864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.324864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.324864 (E_RNA)
where:
Base-Base interactions energy: -108.512
where: short stacking energy: -58.978
Base-Backbone interact. energy: 1.505
local terms energy: -122.318240
where:
bonds (distance) C4'-P energy: -30.826
bonds (distance) P-C4' energy: -38.727
flat angles C4'-P-C4' energy: -30.516
flat angles P-C4'-P energy: -9.930
tors. eta vs tors. theta energy: -12.319
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: 9, replica: 10
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -204.552204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.552204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.552204 (E_RNA)
where:
Base-Base interactions energy: -79.550
where: short stacking energy: -61.814
Base-Backbone interact. energy: 3.480
local terms energy: -128.482739
where:
bonds (distance) C4'-P energy: -33.982
bonds (distance) P-C4' energy: -34.635
flat angles C4'-P-C4' energy: -30.684
flat angles P-C4'-P energy: -20.044
tors. eta vs tors. theta energy: -9.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -166.095724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.095724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.095724 (E_RNA)
where:
Base-Base interactions energy: -69.639
where: short stacking energy: -59.141
Base-Backbone interact. energy: 0.724
local terms energy: -97.180415
where:
bonds (distance) C4'-P energy: -29.058
bonds (distance) P-C4' energy: -32.935
flat angles C4'-P-C4' energy: -21.392
flat angles P-C4'-P energy: -16.691
tors. eta vs tors. theta energy: 2.896
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: 4
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -672.867036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.867036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.867036 (E_RNA)
where:
Base-Base interactions energy: -440.955
where: short stacking energy: -205.010
Base-Backbone interact. energy: -0.974
local terms energy: -230.937988
where:
bonds (distance) C4'-P energy: -35.438
bonds (distance) P-C4' energy: -46.248
flat angles C4'-P-C4' energy: -50.808
flat angles P-C4'-P energy: -31.700
tors. eta vs tors. theta energy: -66.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -637.021659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.021659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.021659 (E_RNA)
where:
Base-Base interactions energy: -439.506
where: short stacking energy: -192.820
Base-Backbone interact. energy: 0.182
local terms energy: -197.698402
where:
bonds (distance) C4'-P energy: -39.475
bonds (distance) P-C4' energy: -32.692
flat angles C4'-P-C4' energy: -37.623
flat angles P-C4'-P energy: -28.488
tors. eta vs tors. theta energy: -59.420
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: 6
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -641.921652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.921652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.921652 (E_RNA)
where:
Base-Base interactions energy: -440.148
where: short stacking energy: -191.495
Base-Backbone interact. energy: -1.000
local terms energy: -200.773853
where:
bonds (distance) C4'-P energy: -31.074
bonds (distance) P-C4' energy: -36.550
flat angles C4'-P-C4' energy: -38.616
flat angles P-C4'-P energy: -30.224
tors. eta vs tors. theta energy: -64.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -584.304267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.304267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.304267 (E_RNA)
where:
Base-Base interactions energy: -381.951
where: short stacking energy: -180.830
Base-Backbone interact. energy: -0.170
local terms energy: -202.182533
where:
bonds (distance) C4'-P energy: -36.701
bonds (distance) P-C4' energy: -42.450
flat angles C4'-P-C4' energy: -42.948
flat angles P-C4'-P energy: -30.722
tors. eta vs tors. theta energy: -49.360
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: 8
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -559.061084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.061084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.061084 (E_RNA)
where:
Base-Base interactions energy: -375.047
where: short stacking energy: -171.174
Base-Backbone interact. energy: -0.918
local terms energy: -183.096363
where:
bonds (distance) C4'-P energy: -33.540
bonds (distance) P-C4' energy: -38.418
flat angles C4'-P-C4' energy: -34.446
flat angles P-C4'-P energy: -24.230
tors. eta vs tors. theta energy: -52.463
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: 6, replica: 9
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -529.478555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.478555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.478555 (E_RNA)
where:
Base-Base interactions energy: -343.154
where: short stacking energy: -169.146
Base-Backbone interact. energy: -0.102
local terms energy: -186.222324
where:
bonds (distance) C4'-P energy: -30.437
bonds (distance) P-C4' energy: -39.738
flat angles C4'-P-C4' energy: -35.259
flat angles P-C4'-P energy: -29.607
tors. eta vs tors. theta energy: -51.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -314.218639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.218639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.218639 (E_RNA)
where:
Base-Base interactions energy: -175.824
where: short stacking energy: -96.428
Base-Backbone interact. energy: 1.989
local terms energy: -140.384233
where:
bonds (distance) C4'-P energy: -25.918
bonds (distance) P-C4' energy: -38.871
flat angles C4'-P-C4' energy: -35.650
flat angles P-C4'-P energy: -24.495
tors. eta vs tors. theta energy: -15.451
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: 5
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -227.517053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.517053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.517053 (E_RNA)
where:
Base-Base interactions energy: -117.276
where: short stacking energy: -73.822
Base-Backbone interact. energy: -0.135
local terms energy: -110.105999
where:
bonds (distance) C4'-P energy: -36.316
bonds (distance) P-C4' energy: -32.048
flat angles C4'-P-C4' energy: -35.471
flat angles P-C4'-P energy: -10.932
tors. eta vs tors. theta energy: 4.662
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: 9, replica: 10
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -188.940339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.940339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.940339 (E_RNA)
where:
Base-Base interactions energy: -81.163
where: short stacking energy: -68.741
Base-Backbone interact. energy: 0.079
local terms energy: -107.856924
where:
bonds (distance) C4'-P energy: -26.274
bonds (distance) P-C4' energy: -38.527
flat angles C4'-P-C4' energy: -18.104
flat angles P-C4'-P energy: -26.707
tors. eta vs tors. theta energy: 1.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -172.350861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.350861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.350861 (E_RNA)
where:
Base-Base interactions energy: -55.593
where: short stacking energy: -44.161
Base-Backbone interact. energy: -1.070
local terms energy: -115.687445
where:
bonds (distance) C4'-P energy: -38.037
bonds (distance) P-C4' energy: -35.259
flat angles C4'-P-C4' energy: -28.886
flat angles P-C4'-P energy: -23.689
tors. eta vs tors. theta energy: 10.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -669.032314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.032314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.032314 (E_RNA)
where:
Base-Base interactions energy: -445.628
where: short stacking energy: -205.409
Base-Backbone interact. energy: -0.280
local terms energy: -223.124665
where:
bonds (distance) C4'-P energy: -38.551
bonds (distance) P-C4' energy: -36.887
flat angles C4'-P-C4' energy: -44.715
flat angles P-C4'-P energy: -34.498
tors. eta vs tors. theta energy: -68.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -650.477208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.477208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.477208 (E_RNA)
where:
Base-Base interactions energy: -435.452
where: short stacking energy: -210.222
Base-Backbone interact. energy: -1.197
local terms energy: -213.827898
where:
bonds (distance) C4'-P energy: -32.273
bonds (distance) P-C4' energy: -43.772
flat angles C4'-P-C4' energy: -45.064
flat angles P-C4'-P energy: -26.399
tors. eta vs tors. theta energy: -66.320
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: 301
Temperature: 1.000000
Total energy: -616.649557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.649557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.649557 (E_RNA)
where:
Base-Base interactions energy: -413.022
where: short stacking energy: -181.924
Base-Backbone interact. energy: -0.512
local terms energy: -203.116146
where:
bonds (distance) C4'-P energy: -39.997
bonds (distance) P-C4' energy: -37.404
flat angles C4'-P-C4' energy: -45.211
flat angles P-C4'-P energy: -26.896
tors. eta vs tors. theta energy: -53.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -568.045610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.045610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.045610 (E_RNA)
where:
Base-Base interactions energy: -378.693
where: short stacking energy: -181.147
Base-Backbone interact. energy: -0.215
local terms energy: -189.138544
where:
bonds (distance) C4'-P energy: -22.867
bonds (distance) P-C4' energy: -36.871
flat angles C4'-P-C4' energy: -47.900
flat angles P-C4'-P energy: -24.931
tors. eta vs tors. theta energy: -56.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -554.590127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.590127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.590127 (E_RNA)
where:
Base-Base interactions energy: -359.647
where: short stacking energy: -157.965
Base-Backbone interact. energy: -0.152
local terms energy: -194.790957
where:
bonds (distance) C4'-P energy: -34.961
bonds (distance) P-C4' energy: -44.491
flat angles C4'-P-C4' energy: -40.364
flat angles P-C4'-P energy: -27.511
tors. eta vs tors. theta energy: -47.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -560.019990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.019990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.019990 (E_RNA)
where:
Base-Base interactions energy: -375.467
where: short stacking energy: -169.466
Base-Backbone interact. energy: -0.817
local terms energy: -183.735233
where:
bonds (distance) C4'-P energy: -28.806
bonds (distance) P-C4' energy: -30.963
flat angles C4'-P-C4' energy: -40.927
flat angles P-C4'-P energy: -27.791
tors. eta vs tors. theta energy: -55.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -316.475452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.475452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.475452 (E_RNA)
where:
Base-Base interactions energy: -161.996
where: short stacking energy: -94.779
Base-Backbone interact. energy: 0.213
local terms energy: -154.691748
where:
bonds (distance) C4'-P energy: -35.773
bonds (distance) P-C4' energy: -39.612
flat angles C4'-P-C4' energy: -29.729
flat angles P-C4'-P energy: -22.994
tors. eta vs tors. theta energy: -26.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -196.901097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.901097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.901097 (E_RNA)
where:
Base-Base interactions energy: -85.785
where: short stacking energy: -60.741
Base-Backbone interact. energy: -1.108
local terms energy: -110.008117
where:
bonds (distance) C4'-P energy: -21.838
bonds (distance) P-C4' energy: -40.057
flat angles C4'-P-C4' energy: -27.321
flat angles P-C4'-P energy: -20.437
tors. eta vs tors. theta energy: -0.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -175.045652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.045652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.045652 (E_RNA)
where:
Base-Base interactions energy: -54.400
where: short stacking energy: -47.345
Base-Backbone interact. energy: 3.766
local terms energy: -124.411447
where:
bonds (distance) C4'-P energy: -39.560
bonds (distance) P-C4' energy: -39.277
flat angles C4'-P-C4' energy: -23.235
flat angles P-C4'-P energy: -23.763
tors. eta vs tors. theta energy: 1.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -157.198290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.198290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.198290 (E_RNA)
where:
Base-Base interactions energy: -51.046
where: short stacking energy: -36.877
Base-Backbone interact. energy: 0.196
local terms energy: -106.348427
where:
bonds (distance) C4'-P energy: -29.739
bonds (distance) P-C4' energy: -36.084
flat angles C4'-P-C4' energy: -22.562
flat angles P-C4'-P energy: -20.754
tors. eta vs tors. theta energy: 2.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -675.993813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.993813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.993813 (E_RNA)
where:
Base-Base interactions energy: -447.153
where: short stacking energy: -206.351
Base-Backbone interact. energy: -0.940
local terms energy: -227.901730
where:
bonds (distance) C4'-P energy: -39.519
bonds (distance) P-C4' energy: -42.814
flat angles C4'-P-C4' energy: -46.239
flat angles P-C4'-P energy: -37.007
tors. eta vs tors. theta energy: -62.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -645.609862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.609862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.609862 (E_RNA)
where:
Base-Base interactions energy: -423.611
where: short stacking energy: -199.132
Base-Backbone interact. energy: -0.735
local terms energy: -221.264600
where:
bonds (distance) C4'-P energy: -39.677
bonds (distance) P-C4' energy: -39.323
flat angles C4'-P-C4' energy: -44.272
flat angles P-C4'-P energy: -31.081
tors. eta vs tors. theta energy: -66.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -577.135406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.135406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.135406 (E_RNA)
where:
Base-Base interactions energy: -369.872
where: short stacking energy: -178.523
Base-Backbone interact. energy: 0.390
local terms energy: -207.652961
where:
bonds (distance) C4'-P energy: -40.872
bonds (distance) P-C4' energy: -42.576
flat angles C4'-P-C4' energy: -44.077
flat angles P-C4'-P energy: -23.630
tors. eta vs tors. theta energy: -56.497
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: 2
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -590.935368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.935368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.935368 (E_RNA)
where:
Base-Base interactions energy: -384.448
where: short stacking energy: -178.016
Base-Backbone interact. energy: -0.385
local terms energy: -206.102210
where:
bonds (distance) C4'-P energy: -38.145
bonds (distance) P-C4' energy: -36.390
flat angles C4'-P-C4' energy: -43.282
flat angles P-C4'-P energy: -25.433
tors. eta vs tors. theta energy: -62.852
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: 9
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -564.308596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.308596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.308596 (E_RNA)
where:
Base-Base interactions energy: -374.463
where: short stacking energy: -191.540
Base-Backbone interact. energy: -0.220
local terms energy: -189.625456
where:
bonds (distance) C4'-P energy: -40.646
bonds (distance) P-C4' energy: -35.710
flat angles C4'-P-C4' energy: -40.128
flat angles P-C4'-P energy: -17.930
tors. eta vs tors. theta energy: -55.211
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: 7
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -540.189547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.189547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.189547 (E_RNA)
where:
Base-Base interactions energy: -347.939
where: short stacking energy: -156.335
Base-Backbone interact. energy: -2.344
local terms energy: -189.906643
where:
bonds (distance) C4'-P energy: -35.608
bonds (distance) P-C4' energy: -35.888
flat angles C4'-P-C4' energy: -41.155
flat angles P-C4'-P energy: -30.261
tors. eta vs tors. theta energy: -46.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -326.901493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.901493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.901493 (E_RNA)
where:
Base-Base interactions energy: -174.683
where: short stacking energy: -98.092
Base-Backbone interact. energy: -0.324
local terms energy: -151.893739
where:
bonds (distance) C4'-P energy: -37.806
bonds (distance) P-C4' energy: -37.416
flat angles C4'-P-C4' energy: -39.106
flat angles P-C4'-P energy: -22.054
tors. eta vs tors. theta energy: -15.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -216.893391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.893391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.893391 (E_RNA)
where:
Base-Base interactions energy: -100.402
where: short stacking energy: -84.307
Base-Backbone interact. energy: 2.233
local terms energy: -118.724771
where:
bonds (distance) C4'-P energy: -22.914
bonds (distance) P-C4' energy: -31.704
flat angles C4'-P-C4' energy: -34.606
flat angles P-C4'-P energy: -18.388
tors. eta vs tors. theta energy: -11.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -179.913420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.913420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.913420 (E_RNA)
where:
Base-Base interactions energy: -56.198
where: short stacking energy: -44.419
Base-Backbone interact. energy: 0.357
local terms energy: -124.072995
where:
bonds (distance) C4'-P energy: -35.365
bonds (distance) P-C4' energy: -22.740
flat angles C4'-P-C4' energy: -39.603
flat angles P-C4'-P energy: -23.496
tors. eta vs tors. theta energy: -2.869
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: 10, replica: 3
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -165.351957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.351957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.351957 (E_RNA)
where:
Base-Base interactions energy: -66.058
where: short stacking energy: -46.787
Base-Backbone interact. energy: 0.449
local terms energy: -99.743013
where:
bonds (distance) C4'-P energy: -33.834
bonds (distance) P-C4' energy: -27.585
flat angles C4'-P-C4' energy: -23.083
flat angles P-C4'-P energy: -15.531
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: 4
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -666.382728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.382728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.382728 (E_RNA)
where:
Base-Base interactions energy: -451.025
where: short stacking energy: -208.491
Base-Backbone interact. energy: 1.661
local terms energy: -217.018625
where:
bonds (distance) C4'-P energy: -42.588
bonds (distance) P-C4' energy: -41.027
flat angles C4'-P-C4' energy: -43.231
flat angles P-C4'-P energy: -27.488
tors. eta vs tors. theta energy: -62.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -640.744952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.744952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.744952 (E_RNA)
where:
Base-Base interactions energy: -430.728
where: short stacking energy: -193.305
Base-Backbone interact. energy: -1.499
local terms energy: -208.518196
where:
bonds (distance) C4'-P energy: -31.621
bonds (distance) P-C4' energy: -38.168
flat angles C4'-P-C4' energy: -44.604
flat angles P-C4'-P energy: -29.803
tors. eta vs tors. theta energy: -64.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -599.526167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.526167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.526167 (E_RNA)
where:
Base-Base interactions energy: -384.482
where: short stacking energy: -195.993
Base-Backbone interact. energy: -0.303
local terms energy: -214.741024
where:
bonds (distance) C4'-P energy: -42.447
bonds (distance) P-C4' energy: -37.947
flat angles C4'-P-C4' energy: -45.292
flat angles P-C4'-P energy: -26.404
tors. eta vs tors. theta energy: -62.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -571.134746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.134746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.134746 (E_RNA)
where:
Base-Base interactions energy: -364.356
where: short stacking energy: -178.195
Base-Backbone interact. energy: -0.052
local terms energy: -206.726718
where:
bonds (distance) C4'-P energy: -38.628
bonds (distance) P-C4' energy: -36.120
flat angles C4'-P-C4' energy: -43.442
flat angles P-C4'-P energy: -30.935
tors. eta vs tors. theta energy: -57.602
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: 2
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -583.930919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.930919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.930919 (E_RNA)
where:
Base-Base interactions energy: -386.988
where: short stacking energy: -178.014
Base-Backbone interact. energy: -1.288
local terms energy: -195.654410
where:
bonds (distance) C4'-P energy: -37.922
bonds (distance) P-C4' energy: -33.498
flat angles C4'-P-C4' energy: -41.947
flat angles P-C4'-P energy: -25.494
tors. eta vs tors. theta energy: -56.793
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: 7
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -538.312571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.312571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.312571 (E_RNA)
where:
Base-Base interactions energy: -350.962
where: short stacking energy: -176.008
Base-Backbone interact. energy: 0.785
local terms energy: -188.135375
where:
bonds (distance) C4'-P energy: -27.996
bonds (distance) P-C4' energy: -37.390
flat angles C4'-P-C4' energy: -40.785
flat angles P-C4'-P energy: -31.251
tors. eta vs tors. theta energy: -50.713
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: 1
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -309.722918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.722918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.722918 (E_RNA)
where:
Base-Base interactions energy: -170.922
where: short stacking energy: -90.150
Base-Backbone interact. energy: -0.814
local terms energy: -137.986674
where:
bonds (distance) C4'-P energy: -40.620
bonds (distance) P-C4' energy: -34.686
flat angles C4'-P-C4' energy: -36.216
flat angles P-C4'-P energy: -13.209
tors. eta vs tors. theta energy: -13.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -188.028542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.028542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.028542 (E_RNA)
where:
Base-Base interactions energy: -61.310
where: short stacking energy: -50.055
Base-Backbone interact. energy: -0.473
local terms energy: -126.244917
where:
bonds (distance) C4'-P energy: -37.890
bonds (distance) P-C4' energy: -37.739
flat angles C4'-P-C4' energy: -37.574
flat angles P-C4'-P energy: -14.674
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: 9, replica: 5
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -177.980274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.980274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.980274 (E_RNA)
where:
Base-Base interactions energy: -65.551
where: short stacking energy: -52.173
Base-Backbone interact. energy: -1.068
local terms energy: -111.361731
where:
bonds (distance) C4'-P energy: -35.269
bonds (distance) P-C4' energy: -34.137
flat angles C4'-P-C4' energy: -27.417
flat angles P-C4'-P energy: -13.064
tors. eta vs tors. theta energy: -1.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -166.442634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.442634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.442634 (E_RNA)
where:
Base-Base interactions energy: -52.838
where: short stacking energy: -46.837
Base-Backbone interact. energy: 2.638
local terms energy: -116.242797
where:
bonds (distance) C4'-P energy: -39.749
bonds (distance) P-C4' energy: -36.207
flat angles C4'-P-C4' energy: -30.940
flat angles P-C4'-P energy: -9.328
tors. eta vs tors. theta energy: -0.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -629.661744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.661744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.661744 (E_RNA)
where:
Base-Base interactions energy: -421.807
where: short stacking energy: -202.963
Base-Backbone interact. energy: -0.377
local terms energy: -207.478277
where:
bonds (distance) C4'-P energy: -33.962
bonds (distance) P-C4' energy: -40.758
flat angles C4'-P-C4' energy: -43.952
flat angles P-C4'-P energy: -27.609
tors. eta vs tors. theta energy: -61.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -673.115158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.115158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.115158 (E_RNA)
where:
Base-Base interactions energy: -444.050
where: short stacking energy: -199.737
Base-Backbone interact. energy: 1.068
local terms energy: -230.133367
where:
bonds (distance) C4'-P energy: -46.388
bonds (distance) P-C4' energy: -41.843
flat angles C4'-P-C4' energy: -46.407
flat angles P-C4'-P energy: -36.132
tors. eta vs tors. theta energy: -59.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -598.763575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.763575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.763575 (E_RNA)
where:
Base-Base interactions energy: -401.455
where: short stacking energy: -191.013
Base-Backbone interact. energy: -1.203
local terms energy: -196.105670
where:
bonds (distance) C4'-P energy: -33.140
bonds (distance) P-C4' energy: -38.396
flat angles C4'-P-C4' energy: -44.949
flat angles P-C4'-P energy: -27.933
tors. eta vs tors. theta energy: -51.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -573.587600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.587600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.587600 (E_RNA)
where:
Base-Base interactions energy: -382.366
where: short stacking energy: -171.169
Base-Backbone interact. energy: -0.700
local terms energy: -190.521740
where:
bonds (distance) C4'-P energy: -35.983
bonds (distance) P-C4' energy: -33.557
flat angles C4'-P-C4' energy: -39.849
flat angles P-C4'-P energy: -28.025
tors. eta vs tors. theta energy: -53.108
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: 7
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -567.788530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.788530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.788530 (E_RNA)
where:
Base-Base interactions energy: -372.705
where: short stacking energy: -175.890
Base-Backbone interact. energy: -0.844
local terms energy: -194.239683
where:
bonds (distance) C4'-P energy: -30.347
bonds (distance) P-C4' energy: -42.817
flat angles C4'-P-C4' energy: -42.705
flat angles P-C4'-P energy: -26.554
tors. eta vs tors. theta energy: -51.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -557.035919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.035919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.035919 (E_RNA)
where:
Base-Base interactions energy: -369.966
where: short stacking energy: -164.552
Base-Backbone interact. energy: -0.725
local terms energy: -186.344557
where:
bonds (distance) C4'-P energy: -32.447
bonds (distance) P-C4' energy: -30.999
flat angles C4'-P-C4' energy: -39.840
flat angles P-C4'-P energy: -29.570
tors. eta vs tors. theta energy: -53.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -336.912013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.912013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.912013 (E_RNA)
where:
Base-Base interactions energy: -195.993
where: short stacking energy: -97.312
Base-Backbone interact. energy: -0.363
local terms energy: -140.556441
where:
bonds (distance) C4'-P energy: -34.647
bonds (distance) P-C4' energy: -30.850
flat angles C4'-P-C4' energy: -29.109
flat angles P-C4'-P energy: -31.228
tors. eta vs tors. theta energy: -14.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -192.633273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.633273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.633273 (E_RNA)
where:
Base-Base interactions energy: -84.183
where: short stacking energy: -66.592
Base-Backbone interact. energy: -0.121
local terms energy: -108.330062
where:
bonds (distance) C4'-P energy: -23.298
bonds (distance) P-C4' energy: -22.694
flat angles C4'-P-C4' energy: -29.199
flat angles P-C4'-P energy: -25.469
tors. eta vs tors. theta energy: -7.671
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: 3
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -174.114582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.114582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.114582 (E_RNA)
where:
Base-Base interactions energy: -55.956
where: short stacking energy: -41.022
Base-Backbone interact. energy: -0.468
local terms energy: -117.691219
where:
bonds (distance) C4'-P energy: -29.095
bonds (distance) P-C4' energy: -40.953
flat angles C4'-P-C4' energy: -33.440
flat angles P-C4'-P energy: -13.844
tors. eta vs tors. theta energy: -0.360
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: 10, replica: 5
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -175.093524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.093524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.093524 (E_RNA)
where:
Base-Base interactions energy: -56.979
where: short stacking energy: -44.647
Base-Backbone interact. energy: -0.915
local terms energy: -117.198890
where:
bonds (distance) C4'-P energy: -40.542
bonds (distance) P-C4' energy: -38.835
flat angles C4'-P-C4' energy: -33.677
flat angles P-C4'-P energy: -12.091
tors. eta vs tors. theta energy: 7.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -648.147212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.147212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.147212 (E_RNA)
where:
Base-Base interactions energy: -427.169
where: short stacking energy: -201.902
Base-Backbone interact. energy: -1.241
local terms energy: -219.736967
where:
bonds (distance) C4'-P energy: -37.137
bonds (distance) P-C4' energy: -42.112
flat angles C4'-P-C4' energy: -42.905
flat angles P-C4'-P energy: -31.580
tors. eta vs tors. theta energy: -66.003
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: 4
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -648.052060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.052060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.052060 (E_RNA)
where:
Base-Base interactions energy: -418.908
where: short stacking energy: -199.841
Base-Backbone interact. energy: -0.900
local terms energy: -228.243565
where:
bonds (distance) C4'-P energy: -47.443
bonds (distance) P-C4' energy: -37.071
flat angles C4'-P-C4' energy: -49.061
flat angles P-C4'-P energy: -30.640
tors. eta vs tors. theta energy: -64.029
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: 3, replica: 8
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -598.792177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.792177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.792177 (E_RNA)
where:
Base-Base interactions energy: -380.989
where: short stacking energy: -191.412
Base-Backbone interact. energy: 0.162
local terms energy: -217.965967
where:
bonds (distance) C4'-P energy: -37.620
bonds (distance) P-C4' energy: -47.359
flat angles C4'-P-C4' energy: -46.271
flat angles P-C4'-P energy: -30.985
tors. eta vs tors. theta energy: -55.730
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: 7
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -564.979587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.979587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.979587 (E_RNA)
where:
Base-Base interactions energy: -375.030
where: short stacking energy: -169.763
Base-Backbone interact. energy: -2.546
local terms energy: -187.403977
where:
bonds (distance) C4'-P energy: -33.261
bonds (distance) P-C4' energy: -37.941
flat angles C4'-P-C4' energy: -39.040
flat angles P-C4'-P energy: -28.478
tors. eta vs tors. theta energy: -48.684
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: 9
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -572.700316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.700316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.700316 (E_RNA)
where:
Base-Base interactions energy: -386.640
where: short stacking energy: -187.555
Base-Backbone interact. energy: -0.574
local terms energy: -185.486375
where:
bonds (distance) C4'-P energy: -36.619
bonds (distance) P-C4' energy: -33.979
flat angles C4'-P-C4' energy: -34.272
flat angles P-C4'-P energy: -28.851
tors. eta vs tors. theta energy: -51.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -578.392870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.392870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.392870 (E_RNA)
where:
Base-Base interactions energy: -392.700
where: short stacking energy: -175.639
Base-Backbone interact. energy: -0.470
local terms energy: -185.223608
where:
bonds (distance) C4'-P energy: -34.903
bonds (distance) P-C4' energy: -33.446
flat angles C4'-P-C4' energy: -35.752
flat angles P-C4'-P energy: -27.546
tors. eta vs tors. theta energy: -53.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -345.315651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.315651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.315651 (E_RNA)
where:
Base-Base interactions energy: -193.801
where: short stacking energy: -90.868
Base-Backbone interact. energy: 1.501
local terms energy: -153.016135
where:
bonds (distance) C4'-P energy: -39.828
bonds (distance) P-C4' energy: -37.218
flat angles C4'-P-C4' energy: -35.673
flat angles P-C4'-P energy: -21.199
tors. eta vs tors. theta energy: -19.099
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: 3
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -191.181152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.181152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.181152 (E_RNA)
where:
Base-Base interactions energy: -67.649
where: short stacking energy: -57.735
Base-Backbone interact. energy: -0.503
local terms energy: -123.028997
where:
bonds (distance) C4'-P energy: -39.518
bonds (distance) P-C4' energy: -26.444
flat angles C4'-P-C4' energy: -34.106
flat angles P-C4'-P energy: -20.325
tors. eta vs tors. theta energy: -2.637
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: 10
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -184.466366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.466366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.466366 (E_RNA)
where:
Base-Base interactions energy: -66.516
where: short stacking energy: -53.068
Base-Backbone interact. energy: -0.492
local terms energy: -117.458888
where:
bonds (distance) C4'-P energy: -37.554
bonds (distance) P-C4' energy: -35.485
flat angles C4'-P-C4' energy: -30.368
flat angles P-C4'-P energy: -14.548
tors. eta vs tors. theta energy: 0.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -183.052571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.052571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.052571 (E_RNA)
where:
Base-Base interactions energy: -67.889
where: short stacking energy: -44.311
Base-Backbone interact. energy: -2.194
local terms energy: -112.969176
where:
bonds (distance) C4'-P energy: -38.699
bonds (distance) P-C4' energy: -36.764
flat angles C4'-P-C4' energy: -31.096
flat angles P-C4'-P energy: -13.831
tors. eta vs tors. theta energy: 7.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -658.391336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.391336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.391336 (E_RNA)
where:
Base-Base interactions energy: -433.925
where: short stacking energy: -210.925
Base-Backbone interact. energy: -0.604
local terms energy: -223.862466
where:
bonds (distance) C4'-P energy: -38.719
bonds (distance) P-C4' energy: -45.381
flat angles C4'-P-C4' energy: -47.285
flat angles P-C4'-P energy: -24.684
tors. eta vs tors. theta energy: -67.795
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: 6
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -632.772100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.772100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.772100 (E_RNA)
where:
Base-Base interactions energy: -431.620
where: short stacking energy: -196.492
Base-Backbone interact. energy: 2.334
local terms energy: -203.486232
where:
bonds (distance) C4'-P energy: -32.696
bonds (distance) P-C4' energy: -39.396
flat angles C4'-P-C4' energy: -44.619
flat angles P-C4'-P energy: -26.232
tors. eta vs tors. theta energy: -60.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -591.689091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.689091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.689091 (E_RNA)
where:
Base-Base interactions energy: -381.470
where: short stacking energy: -179.483
Base-Backbone interact. energy: -0.601
local terms energy: -209.617429
where:
bonds (distance) C4'-P energy: -37.163
bonds (distance) P-C4' energy: -41.184
flat angles C4'-P-C4' energy: -43.495
flat angles P-C4'-P energy: -29.975
tors. eta vs tors. theta energy: -57.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -590.410401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.410401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.410401 (E_RNA)
where:
Base-Base interactions energy: -383.466
where: short stacking energy: -184.687
Base-Backbone interact. energy: -0.945
local terms energy: -205.998658
where:
bonds (distance) C4'-P energy: -35.641
bonds (distance) P-C4' energy: -37.574
flat angles C4'-P-C4' energy: -41.816
flat angles P-C4'-P energy: -26.983
tors. eta vs tors. theta energy: -63.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -578.536011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.536011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.536011 (E_RNA)
where:
Base-Base interactions energy: -387.132
where: short stacking energy: -156.058
Base-Backbone interact. energy: 0.585
local terms energy: -191.988563
where:
bonds (distance) C4'-P energy: -33.572
bonds (distance) P-C4' energy: -37.054
flat angles C4'-P-C4' energy: -43.832
flat angles P-C4'-P energy: -26.896
tors. eta vs tors. theta energy: -50.635
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: 6, replica: 9
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -556.830288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.830288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.830288 (E_RNA)
where:
Base-Base interactions energy: -364.718
where: short stacking energy: -157.826
Base-Backbone interact. energy: -1.173
local terms energy: -190.939871
where:
bonds (distance) C4'-P energy: -30.530
bonds (distance) P-C4' energy: -41.468
flat angles C4'-P-C4' energy: -35.703
flat angles P-C4'-P energy: -29.921
tors. eta vs tors. theta energy: -53.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -314.824587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.824587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.824587 (E_RNA)
where:
Base-Base interactions energy: -194.273
where: short stacking energy: -92.534
Base-Backbone interact. energy: -0.583
local terms energy: -119.968130
where:
bonds (distance) C4'-P energy: -36.857
bonds (distance) P-C4' energy: -33.738
flat angles C4'-P-C4' energy: -25.826
flat angles P-C4'-P energy: -22.459
tors. eta vs tors. theta energy: -1.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -191.428229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.428229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.428229 (E_RNA)
where:
Base-Base interactions energy: -65.515
where: short stacking energy: -55.103
Base-Backbone interact. energy: -0.686
local terms energy: -125.227484
where:
bonds (distance) C4'-P energy: -36.718
bonds (distance) P-C4' energy: -36.514
flat angles C4'-P-C4' energy: -38.750
flat angles P-C4'-P energy: -17.758
tors. eta vs tors. theta energy: 4.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -190.248696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.248696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.248696 (E_RNA)
where:
Base-Base interactions energy: -93.751
where: short stacking energy: -62.279
Base-Backbone interact. energy: -0.888
local terms energy: -95.609828
where:
bonds (distance) C4'-P energy: -20.931
bonds (distance) P-C4' energy: -33.532
flat angles C4'-P-C4' energy: -29.752
flat angles P-C4'-P energy: -14.201
tors. eta vs tors. theta energy: 2.806
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: 5
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -164.821742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.821742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.821742 (E_RNA)
where:
Base-Base interactions energy: -52.066
where: short stacking energy: -45.899
Base-Backbone interact. energy: -0.452
local terms energy: -112.304263
where:
bonds (distance) C4'-P energy: -34.461
bonds (distance) P-C4' energy: -45.231
flat angles C4'-P-C4' energy: -24.510
flat angles P-C4'-P energy: -11.224
tors. eta vs tors. theta energy: 3.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -675.858800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.858800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.858800 (E_RNA)
where:
Base-Base interactions energy: -448.942
where: short stacking energy: -207.016
Base-Backbone interact. energy: -1.909
local terms energy: -225.007158
where:
bonds (distance) C4'-P energy: -36.495
bonds (distance) P-C4' energy: -43.915
flat angles C4'-P-C4' energy: -44.536
flat angles P-C4'-P energy: -35.660
tors. eta vs tors. theta energy: -64.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -642.378971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.378971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.378971 (E_RNA)
where:
Base-Base interactions energy: -438.645
where: short stacking energy: -194.368
Base-Backbone interact. energy: -0.178
local terms energy: -203.556493
where:
bonds (distance) C4'-P energy: -38.672
bonds (distance) P-C4' energy: -34.060
flat angles C4'-P-C4' energy: -40.361
flat angles P-C4'-P energy: -32.050
tors. eta vs tors. theta energy: -58.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -605.214508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.214508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.214508 (E_RNA)
where:
Base-Base interactions energy: -394.318
where: short stacking energy: -188.692
Base-Backbone interact. energy: 0.291
local terms energy: -211.187718
where:
bonds (distance) C4'-P energy: -40.994
bonds (distance) P-C4' energy: -36.159
flat angles C4'-P-C4' energy: -42.443
flat angles P-C4'-P energy: -29.384
tors. eta vs tors. theta energy: -62.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -571.109804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.109804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.109804 (E_RNA)
where:
Base-Base interactions energy: -358.783
where: short stacking energy: -154.693
Base-Backbone interact. energy: -0.749
local terms energy: -211.577388
where:
bonds (distance) C4'-P energy: -45.117
bonds (distance) P-C4' energy: -41.369
flat angles C4'-P-C4' energy: -45.148
flat angles P-C4'-P energy: -29.737
tors. eta vs tors. theta energy: -50.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -552.771546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.771546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.771546 (E_RNA)
where:
Base-Base interactions energy: -373.463
where: short stacking energy: -171.945
Base-Backbone interact. energy: -0.058
local terms energy: -179.251017
where:
bonds (distance) C4'-P energy: -33.675
bonds (distance) P-C4' energy: -31.858
flat angles C4'-P-C4' energy: -31.069
flat angles P-C4'-P energy: -28.677
tors. eta vs tors. theta energy: -53.972
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: 9
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -555.212400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.212400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.212400 (E_RNA)
where:
Base-Base interactions energy: -350.375
where: short stacking energy: -156.212
Base-Backbone interact. energy: -0.153
local terms energy: -204.685165
where:
bonds (distance) C4'-P energy: -42.428
bonds (distance) P-C4' energy: -42.056
flat angles C4'-P-C4' energy: -41.122
flat angles P-C4'-P energy: -26.712
tors. eta vs tors. theta energy: -52.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -341.446023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.446023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.446023 (E_RNA)
where:
Base-Base interactions energy: -187.370
where: short stacking energy: -83.984
Base-Backbone interact. energy: 0.299
local terms energy: -154.375530
where:
bonds (distance) C4'-P energy: -42.961
bonds (distance) P-C4' energy: -39.292
flat angles C4'-P-C4' energy: -34.184
flat angles P-C4'-P energy: -20.376
tors. eta vs tors. theta energy: -17.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -190.538962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.538962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.538962 (E_RNA)
where:
Base-Base interactions energy: -74.586
where: short stacking energy: -64.003
Base-Backbone interact. energy: -0.314
local terms energy: -115.639044
where:
bonds (distance) C4'-P energy: -31.486
bonds (distance) P-C4' energy: -27.261
flat angles C4'-P-C4' energy: -37.286
flat angles P-C4'-P energy: -15.497
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: 9, replica: 3
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -190.725590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.725590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.725590 (E_RNA)
where:
Base-Base interactions energy: -68.860
where: short stacking energy: -47.529
Base-Backbone interact. energy: 0.857
local terms energy: -122.722215
where:
bonds (distance) C4'-P energy: -32.131
bonds (distance) P-C4' energy: -35.472
flat angles C4'-P-C4' energy: -37.512
flat angles P-C4'-P energy: -23.080
tors. eta vs tors. theta energy: 5.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -179.010108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.010108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.010108 (E_RNA)
where:
Base-Base interactions energy: -58.898
where: short stacking energy: -53.406
Base-Backbone interact. energy: -0.447
local terms energy: -119.665442
where:
bonds (distance) C4'-P energy: -37.426
bonds (distance) P-C4' energy: -32.360
flat angles C4'-P-C4' energy: -35.170
flat angles P-C4'-P energy: -18.297
tors. eta vs tors. theta energy: 3.588
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: 4
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -652.876507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.876507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.876507 (E_RNA)
where:
Base-Base interactions energy: -429.191
where: short stacking energy: -200.134
Base-Backbone interact. energy: -0.681
local terms energy: -223.005280
where:
bonds (distance) C4'-P energy: -40.561
bonds (distance) P-C4' energy: -39.760
flat angles C4'-P-C4' energy: -45.289
flat angles P-C4'-P energy: -36.122
tors. eta vs tors. theta energy: -61.273
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: 6
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -643.489582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.489582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.489582 (E_RNA)
where:
Base-Base interactions energy: -434.450
where: short stacking energy: -203.570
Base-Backbone interact. energy: -0.275
local terms energy: -208.764274
where:
bonds (distance) C4'-P energy: -31.327
bonds (distance) P-C4' energy: -40.864
flat angles C4'-P-C4' energy: -44.439
flat angles P-C4'-P energy: -31.326
tors. eta vs tors. theta energy: -60.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -595.241717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.241717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.241717 (E_RNA)
where:
Base-Base interactions energy: -384.309
where: short stacking energy: -185.767
Base-Backbone interact. energy: -0.152
local terms energy: -210.780884
where:
bonds (distance) C4'-P energy: -38.030
bonds (distance) P-C4' energy: -42.531
flat angles C4'-P-C4' energy: -48.555
flat angles P-C4'-P energy: -25.901
tors. eta vs tors. theta energy: -55.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -562.798573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.798573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.798573 (E_RNA)
where:
Base-Base interactions energy: -362.041
where: short stacking energy: -177.623
Base-Backbone interact. energy: -0.741
local terms energy: -200.016657
where:
bonds (distance) C4'-P energy: -31.607
bonds (distance) P-C4' energy: -41.470
flat angles C4'-P-C4' energy: -39.505
flat angles P-C4'-P energy: -32.133
tors. eta vs tors. theta energy: -55.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -556.494628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.494628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.494628 (E_RNA)
where:
Base-Base interactions energy: -364.937
where: short stacking energy: -173.596
Base-Backbone interact. energy: -0.714
local terms energy: -190.843703
where:
bonds (distance) C4'-P energy: -33.784
bonds (distance) P-C4' energy: -33.270
flat angles C4'-P-C4' energy: -37.281
flat angles P-C4'-P energy: -35.622
tors. eta vs tors. theta energy: -50.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -528.541592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.541592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.541592 (E_RNA)
where:
Base-Base interactions energy: -345.480
where: short stacking energy: -149.278
Base-Backbone interact. energy: -0.989
local terms energy: -182.072992
where:
bonds (distance) C4'-P energy: -36.304
bonds (distance) P-C4' energy: -37.725
flat angles C4'-P-C4' energy: -41.655
flat angles P-C4'-P energy: -29.698
tors. eta vs tors. theta energy: -36.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -344.158144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.158144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.158144 (E_RNA)
where:
Base-Base interactions energy: -207.798
where: short stacking energy: -91.737
Base-Backbone interact. energy: -0.435
local terms energy: -135.925090
where:
bonds (distance) C4'-P energy: -30.183
bonds (distance) P-C4' energy: -32.395
flat angles C4'-P-C4' energy: -36.367
flat angles P-C4'-P energy: -24.177
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: 8, replica: 10
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -202.796506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.796506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.796506 (E_RNA)
where:
Base-Base interactions energy: -80.777
where: short stacking energy: -68.814
Base-Backbone interact. energy: 2.120
local terms energy: -124.139926
where:
bonds (distance) C4'-P energy: -37.112
bonds (distance) P-C4' energy: -26.675
flat angles C4'-P-C4' energy: -30.804
flat angles P-C4'-P energy: -21.760
tors. eta vs tors. theta energy: -7.788
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: 308
Temperature: 1.300000
Total energy: -194.777028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.777028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.777028 (E_RNA)
where:
Base-Base interactions energy: -84.745
where: short stacking energy: -74.802
Base-Backbone interact. energy: 1.205
local terms energy: -111.236307
where:
bonds (distance) C4'-P energy: -31.992
bonds (distance) P-C4' energy: -36.025
flat angles C4'-P-C4' energy: -27.165
flat angles P-C4'-P energy: -13.163
tors. eta vs tors. theta energy: -2.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -167.999320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.999320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.999320 (E_RNA)
where:
Base-Base interactions energy: -54.491
where: short stacking energy: -52.042
Base-Backbone interact. energy: -0.545
local terms energy: -112.963099
where:
bonds (distance) C4'-P energy: -41.418
bonds (distance) P-C4' energy: -34.568
flat angles C4'-P-C4' energy: -22.716
flat angles P-C4'-P energy: -13.639
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: 4
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -668.690002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.690002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.690002 (E_RNA)
where:
Base-Base interactions energy: -439.098
where: short stacking energy: -206.153
Base-Backbone interact. energy: -1.006
local terms energy: -228.586135
where:
bonds (distance) C4'-P energy: -41.829
bonds (distance) P-C4' energy: -44.061
flat angles C4'-P-C4' energy: -43.910
flat angles P-C4'-P energy: -29.640
tors. eta vs tors. theta energy: -69.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -649.125818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.125818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.125818 (E_RNA)
where:
Base-Base interactions energy: -424.921
where: short stacking energy: -191.691
Base-Backbone interact. energy: -0.378
local terms energy: -223.826774
where:
bonds (distance) C4'-P energy: -40.407
bonds (distance) P-C4' energy: -41.453
flat angles C4'-P-C4' energy: -47.467
flat angles P-C4'-P energy: -31.442
tors. eta vs tors. theta energy: -63.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -601.230319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.230319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.230319 (E_RNA)
where:
Base-Base interactions energy: -393.897
where: short stacking energy: -190.372
Base-Backbone interact. energy: -0.163
local terms energy: -207.170347
where:
bonds (distance) C4'-P energy: -33.626
bonds (distance) P-C4' energy: -37.597
flat angles C4'-P-C4' energy: -44.267
flat angles P-C4'-P energy: -32.026
tors. eta vs tors. theta energy: -59.654
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: 8
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -574.327868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.327868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.327868 (E_RNA)
where:
Base-Base interactions energy: -364.970
where: short stacking energy: -182.738
Base-Backbone interact. energy: -2.218
local terms energy: -207.139696
where:
bonds (distance) C4'-P energy: -43.866
bonds (distance) P-C4' energy: -35.888
flat angles C4'-P-C4' energy: -44.278
flat angles P-C4'-P energy: -30.113
tors. eta vs tors. theta energy: -52.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -552.206766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.206766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.206766 (E_RNA)
where:
Base-Base interactions energy: -364.964
where: short stacking energy: -169.157
Base-Backbone interact. energy: 1.896
local terms energy: -189.139169
where:
bonds (distance) C4'-P energy: -35.283
bonds (distance) P-C4' energy: -39.553
flat angles C4'-P-C4' energy: -34.146
flat angles P-C4'-P energy: -29.252
tors. eta vs tors. theta energy: -50.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -531.963554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.963554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.963554 (E_RNA)
where:
Base-Base interactions energy: -363.516
where: short stacking energy: -160.091
Base-Backbone interact. energy: -0.525
local terms energy: -167.922206
where:
bonds (distance) C4'-P energy: -40.802
bonds (distance) P-C4' energy: -29.123
flat angles C4'-P-C4' energy: -40.028
flat angles P-C4'-P energy: -17.501
tors. eta vs tors. theta energy: -40.468
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: 1
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -341.705019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.705019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.705019 (E_RNA)
where:
Base-Base interactions energy: -186.145
where: short stacking energy: -93.692
Base-Backbone interact. energy: 0.092
local terms energy: -155.652229
where:
bonds (distance) C4'-P energy: -33.739
bonds (distance) P-C4' energy: -45.177
flat angles C4'-P-C4' energy: -28.287
flat angles P-C4'-P energy: -26.673
tors. eta vs tors. theta energy: -21.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -209.526240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.526240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.526240 (E_RNA)
where:
Base-Base interactions energy: -72.287
where: short stacking energy: -65.437
Base-Backbone interact. energy: -1.582
local terms energy: -135.657403
where:
bonds (distance) C4'-P energy: -31.034
bonds (distance) P-C4' energy: -37.762
flat angles C4'-P-C4' energy: -35.979
flat angles P-C4'-P energy: -25.158
tors. eta vs tors. theta energy: -5.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -176.419812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.419812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.419812 (E_RNA)
where:
Base-Base interactions energy: -64.388
where: short stacking energy: -54.797
Base-Backbone interact. energy: -1.646
local terms energy: -110.385898
where:
bonds (distance) C4'-P energy: -33.444
bonds (distance) P-C4' energy: -31.425
flat angles C4'-P-C4' energy: -30.840
flat angles P-C4'-P energy: -16.195
tors. eta vs tors. theta energy: 1.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -182.886825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.886825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.886825 (E_RNA)
where:
Base-Base interactions energy: -75.729
where: short stacking energy: -39.212
Base-Backbone interact. energy: 3.665
local terms energy: -110.822853
where:
bonds (distance) C4'-P energy: -31.705
bonds (distance) P-C4' energy: -37.925
flat angles C4'-P-C4' energy: -27.826
flat angles P-C4'-P energy: -17.431
tors. eta vs tors. theta energy: 4.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -659.760405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.760405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.760405 (E_RNA)
where:
Base-Base interactions energy: -442.946
where: short stacking energy: -202.179
Base-Backbone interact. energy: -0.726
local terms energy: -216.088179
where:
bonds (distance) C4'-P energy: -36.629
bonds (distance) P-C4' energy: -42.582
flat angles C4'-P-C4' energy: -44.219
flat angles P-C4'-P energy: -31.383
tors. eta vs tors. theta energy: -61.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -631.506460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.506460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.506460 (E_RNA)
where:
Base-Base interactions energy: -427.367
where: short stacking energy: -199.447
Base-Backbone interact. energy: -0.434
local terms energy: -203.705629
where:
bonds (distance) C4'-P energy: -35.916
bonds (distance) P-C4' energy: -35.939
flat angles C4'-P-C4' energy: -44.142
flat angles P-C4'-P energy: -29.625
tors. eta vs tors. theta energy: -58.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -582.355963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.355963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.355963 (E_RNA)
where:
Base-Base interactions energy: -377.382
where: short stacking energy: -185.310
Base-Backbone interact. energy: -0.499
local terms energy: -204.474379
where:
bonds (distance) C4'-P energy: -39.133
bonds (distance) P-C4' energy: -35.981
flat angles C4'-P-C4' energy: -38.593
flat angles P-C4'-P energy: -33.067
tors. eta vs tors. theta energy: -57.700
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: 7
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -569.251829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.251829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.251829 (E_RNA)
where:
Base-Base interactions energy: -371.500
where: short stacking energy: -175.208
Base-Backbone interact. energy: -0.277
local terms energy: -197.475275
where:
bonds (distance) C4'-P energy: -33.841
bonds (distance) P-C4' energy: -45.753
flat angles C4'-P-C4' energy: -44.052
flat angles P-C4'-P energy: -22.064
tors. eta vs tors. theta energy: -51.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -546.214019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.214019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.214019 (E_RNA)
where:
Base-Base interactions energy: -373.192
where: short stacking energy: -163.237
Base-Backbone interact. energy: 3.024
local terms energy: -176.045531
where:
bonds (distance) C4'-P energy: -35.313
bonds (distance) P-C4' energy: -36.983
flat angles C4'-P-C4' energy: -36.565
flat angles P-C4'-P energy: -24.084
tors. eta vs tors. theta energy: -43.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -538.409141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.409141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.409141 (E_RNA)
where:
Base-Base interactions energy: -351.435
where: short stacking energy: -167.067
Base-Backbone interact. energy: -0.379
local terms energy: -186.595236
where:
bonds (distance) C4'-P energy: -33.911
bonds (distance) P-C4' energy: -32.352
flat angles C4'-P-C4' energy: -40.366
flat angles P-C4'-P energy: -26.121
tors. eta vs tors. theta energy: -53.846
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: 1
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -352.451441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.451441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.451441 (E_RNA)
where:
Base-Base interactions energy: -210.388
where: short stacking energy: -95.990
Base-Backbone interact. energy: 1.211
local terms energy: -143.274257
where:
bonds (distance) C4'-P energy: -35.402
bonds (distance) P-C4' energy: -31.043
flat angles C4'-P-C4' energy: -35.151
flat angles P-C4'-P energy: -18.345
tors. eta vs tors. theta energy: -23.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -212.082759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.082759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.082759 (E_RNA)
where:
Base-Base interactions energy: -90.418
where: short stacking energy: -62.083
Base-Backbone interact. energy: 2.332
local terms energy: -123.997113
where:
bonds (distance) C4'-P energy: -29.394
bonds (distance) P-C4' energy: -31.838
flat angles C4'-P-C4' energy: -25.035
flat angles P-C4'-P energy: -32.795
tors. eta vs tors. theta energy: -4.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -189.971523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.971523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.971523 (E_RNA)
where:
Base-Base interactions energy: -68.570
where: short stacking energy: -56.433
Base-Backbone interact. energy: -0.508
local terms energy: -120.893572
where:
bonds (distance) C4'-P energy: -30.832
bonds (distance) P-C4' energy: -36.099
flat angles C4'-P-C4' energy: -35.945
flat angles P-C4'-P energy: -15.514
tors. eta vs tors. theta energy: -2.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -163.843903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.843903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.843903 (E_RNA)
where:
Base-Base interactions energy: -54.411
where: short stacking energy: -43.227
Base-Backbone interact. energy: -0.570
local terms energy: -108.863341
where:
bonds (distance) C4'-P energy: -31.533
bonds (distance) P-C4' energy: -33.354
flat angles C4'-P-C4' energy: -28.466
flat angles P-C4'-P energy: -19.953
tors. eta vs tors. theta energy: 4.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -660.138973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.138973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.138973 (E_RNA)
where:
Base-Base interactions energy: -439.095
where: short stacking energy: -196.429
Base-Backbone interact. energy: -3.008
local terms energy: -218.036379
where:
bonds (distance) C4'-P energy: -40.758
bonds (distance) P-C4' energy: -41.612
flat angles C4'-P-C4' energy: -38.218
flat angles P-C4'-P energy: -33.206
tors. eta vs tors. theta energy: -64.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -629.588876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.588876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.588876 (E_RNA)
where:
Base-Base interactions energy: -422.582
where: short stacking energy: -204.534
Base-Backbone interact. energy: -1.193
local terms energy: -205.813762
where:
bonds (distance) C4'-P energy: -37.238
bonds (distance) P-C4' energy: -36.420
flat angles C4'-P-C4' energy: -47.163
flat angles P-C4'-P energy: -27.538
tors. eta vs tors. theta energy: -57.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -573.406849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.406849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.406849 (E_RNA)
where:
Base-Base interactions energy: -381.988
where: short stacking energy: -192.510
Base-Backbone interact. energy: -1.174
local terms energy: -190.245122
where:
bonds (distance) C4'-P energy: -37.759
bonds (distance) P-C4' energy: -28.091
flat angles C4'-P-C4' energy: -40.027
flat angles P-C4'-P energy: -31.572
tors. eta vs tors. theta energy: -52.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -575.400116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.400116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.400116 (E_RNA)
where:
Base-Base interactions energy: -384.704
where: short stacking energy: -175.576
Base-Backbone interact. energy: -0.161
local terms energy: -190.534837
where:
bonds (distance) C4'-P energy: -33.661
bonds (distance) P-C4' energy: -37.201
flat angles C4'-P-C4' energy: -41.276
flat angles P-C4'-P energy: -31.223
tors. eta vs tors. theta energy: -47.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -565.700428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.700428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.700428 (E_RNA)
where:
Base-Base interactions energy: -377.844
where: short stacking energy: -182.253
Base-Backbone interact. energy: -0.232
local terms energy: -187.624243
where:
bonds (distance) C4'-P energy: -38.994
bonds (distance) P-C4' energy: -36.059
flat angles C4'-P-C4' energy: -35.651
flat angles P-C4'-P energy: -25.386
tors. eta vs tors. theta energy: -51.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -546.674907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.674907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.674907 (E_RNA)
where:
Base-Base interactions energy: -349.870
where: short stacking energy: -173.210
Base-Backbone interact. energy: 0.996
local terms energy: -197.801400
where:
bonds (distance) C4'-P energy: -34.928
bonds (distance) P-C4' energy: -43.880
flat angles C4'-P-C4' energy: -37.792
flat angles P-C4'-P energy: -23.673
tors. eta vs tors. theta energy: -57.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -356.234838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.234838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.234838 (E_RNA)
where:
Base-Base interactions energy: -216.835
where: short stacking energy: -109.113
Base-Backbone interact. energy: -1.034
local terms energy: -138.365643
where:
bonds (distance) C4'-P energy: -34.144
bonds (distance) P-C4' energy: -34.240
flat angles C4'-P-C4' energy: -32.489
flat angles P-C4'-P energy: -19.089
tors. eta vs tors. theta energy: -18.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -214.675430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.675430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.675430 (E_RNA)
where:
Base-Base interactions energy: -91.537
where: short stacking energy: -67.914
Base-Backbone interact. energy: -0.652
local terms energy: -122.487141
where:
bonds (distance) C4'-P energy: -29.804
bonds (distance) P-C4' energy: -35.653
flat angles C4'-P-C4' energy: -35.837
flat angles P-C4'-P energy: -19.493
tors. eta vs tors. theta energy: -1.699
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: 3
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -196.389181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.389181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.389181 (E_RNA)
where:
Base-Base interactions energy: -66.366
where: short stacking energy: -46.318
Base-Backbone interact. energy: 0.391
local terms energy: -130.414498
where:
bonds (distance) C4'-P energy: -36.048
bonds (distance) P-C4' energy: -36.145
flat angles C4'-P-C4' energy: -37.114
flat angles P-C4'-P energy: -17.987
tors. eta vs tors. theta energy: -3.119
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: 10, replica: 10
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -173.058489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.058489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.058489 (E_RNA)
where:
Base-Base interactions energy: -56.286
where: short stacking energy: -48.480
Base-Backbone interact. energy: 1.188
local terms energy: -117.959850
where:
bonds (distance) C4'-P energy: -34.046
bonds (distance) P-C4' energy: -38.335
flat angles C4'-P-C4' energy: -27.526
flat angles P-C4'-P energy: -11.048
tors. eta vs tors. theta energy: -7.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -658.417414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.417414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.417414 (E_RNA)
where:
Base-Base interactions energy: -431.341
where: short stacking energy: -200.314
Base-Backbone interact. energy: -1.758
local terms energy: -225.318361
where:
bonds (distance) C4'-P energy: -33.144
bonds (distance) P-C4' energy: -47.284
flat angles C4'-P-C4' energy: -46.296
flat angles P-C4'-P energy: -38.110
tors. eta vs tors. theta energy: -60.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -630.707342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.707342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.707342 (E_RNA)
where:
Base-Base interactions energy: -424.589
where: short stacking energy: -197.857
Base-Backbone interact. energy: -0.249
local terms energy: -205.869927
where:
bonds (distance) C4'-P energy: -37.298
bonds (distance) P-C4' energy: -34.619
flat angles C4'-P-C4' energy: -41.233
flat angles P-C4'-P energy: -30.742
tors. eta vs tors. theta energy: -61.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -610.206010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.206010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.206010 (E_RNA)
where:
Base-Base interactions energy: -398.380
where: short stacking energy: -192.367
Base-Backbone interact. energy: -0.206
local terms energy: -211.620132
where:
bonds (distance) C4'-P energy: -36.221
bonds (distance) P-C4' energy: -38.327
flat angles C4'-P-C4' energy: -41.977
flat angles P-C4'-P energy: -28.421
tors. eta vs tors. theta energy: -66.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -574.291025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.291025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.291025 (E_RNA)
where:
Base-Base interactions energy: -384.456
where: short stacking energy: -193.494
Base-Backbone interact. energy: -1.591
local terms energy: -188.243331
where:
bonds (distance) C4'-P energy: -30.869
bonds (distance) P-C4' energy: -29.885
flat angles C4'-P-C4' energy: -34.575
flat angles P-C4'-P energy: -29.817
tors. eta vs tors. theta energy: -63.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -563.969074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.969074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.969074 (E_RNA)
where:
Base-Base interactions energy: -369.418
where: short stacking energy: -178.061
Base-Backbone interact. energy: 0.548
local terms energy: -195.098542
where:
bonds (distance) C4'-P energy: -34.670
bonds (distance) P-C4' energy: -37.266
flat angles C4'-P-C4' energy: -43.208
flat angles P-C4'-P energy: -24.511
tors. eta vs tors. theta energy: -55.444
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: 6, replica: 2
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -545.499108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.499108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.499108 (E_RNA)
where:
Base-Base interactions energy: -374.666
where: short stacking energy: -172.484
Base-Backbone interact. energy: -0.999
local terms energy: -169.834073
where:
bonds (distance) C4'-P energy: -29.915
bonds (distance) P-C4' energy: -32.454
flat angles C4'-P-C4' energy: -38.190
flat angles P-C4'-P energy: -18.716
tors. eta vs tors. theta energy: -50.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -339.110637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.110637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.110637 (E_RNA)
where:
Base-Base interactions energy: -194.525
where: short stacking energy: -109.285
Base-Backbone interact. energy: 0.399
local terms energy: -144.984725
where:
bonds (distance) C4'-P energy: -23.131
bonds (distance) P-C4' energy: -38.796
flat angles C4'-P-C4' energy: -36.716
flat angles P-C4'-P energy: -22.071
tors. eta vs tors. theta energy: -24.271
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: 5
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -189.768153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.768153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.768153 (E_RNA)
where:
Base-Base interactions energy: -69.033
where: short stacking energy: -52.463
Base-Backbone interact. energy: -0.686
local terms energy: -120.049169
where:
bonds (distance) C4'-P energy: -33.866
bonds (distance) P-C4' energy: -35.608
flat angles C4'-P-C4' energy: -28.258
flat angles P-C4'-P energy: -12.517
tors. eta vs tors. theta energy: -9.800
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: 9, replica: 10
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -182.260173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.260173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.260173 (E_RNA)
where:
Base-Base interactions energy: -55.495
where: short stacking energy: -49.583
Base-Backbone interact. energy: 0.249
local terms energy: -127.014357
where:
bonds (distance) C4'-P energy: -34.886
bonds (distance) P-C4' energy: -30.780
flat angles C4'-P-C4' energy: -37.022
flat angles P-C4'-P energy: -17.352
tors. eta vs tors. theta energy: -6.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -172.320998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.320998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.320998 (E_RNA)
where:
Base-Base interactions energy: -60.921
where: short stacking energy: -52.500
Base-Backbone interact. energy: 0.914
local terms energy: -112.313768
where:
bonds (distance) C4'-P energy: -33.441
bonds (distance) P-C4' energy: -31.366
flat angles C4'-P-C4' energy: -31.900
flat angles P-C4'-P energy: -17.301
tors. eta vs tors. theta energy: 1.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -663.155616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.155616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.155616 (E_RNA)
where:
Base-Base interactions energy: -439.299
where: short stacking energy: -208.389
Base-Backbone interact. energy: -1.389
local terms energy: -222.467197
where:
bonds (distance) C4'-P energy: -42.609
bonds (distance) P-C4' energy: -41.038
flat angles C4'-P-C4' energy: -42.293
flat angles P-C4'-P energy: -33.467
tors. eta vs tors. theta energy: -63.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -640.614326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.614326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.614326 (E_RNA)
where:
Base-Base interactions energy: -430.567
where: short stacking energy: -198.282
Base-Backbone interact. energy: -1.006
local terms energy: -209.041576
where:
bonds (distance) C4'-P energy: -37.453
bonds (distance) P-C4' energy: -39.419
flat angles C4'-P-C4' energy: -41.013
flat angles P-C4'-P energy: -31.275
tors. eta vs tors. theta energy: -59.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -600.043462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.043462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.043462 (E_RNA)
where:
Base-Base interactions energy: -386.788
where: short stacking energy: -187.910
Base-Backbone interact. energy: -0.022
local terms energy: -213.233175
where:
bonds (distance) C4'-P energy: -39.463
bonds (distance) P-C4' energy: -44.034
flat angles C4'-P-C4' energy: -39.280
flat angles P-C4'-P energy: -28.563
tors. eta vs tors. theta energy: -61.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -581.185885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.185885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.185885 (E_RNA)
where:
Base-Base interactions energy: -382.262
where: short stacking energy: -185.107
Base-Backbone interact. energy: -0.235
local terms energy: -198.689187
where:
bonds (distance) C4'-P energy: -32.822
bonds (distance) P-C4' energy: -32.737
flat angles C4'-P-C4' energy: -46.920
flat angles P-C4'-P energy: -29.055
tors. eta vs tors. theta energy: -57.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -571.987873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.987873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.987873 (E_RNA)
where:
Base-Base interactions energy: -375.592
where: short stacking energy: -182.449
Base-Backbone interact. energy: -0.126
local terms energy: -196.269618
where:
bonds (distance) C4'-P energy: -38.039
bonds (distance) P-C4' energy: -33.490
flat angles C4'-P-C4' energy: -40.195
flat angles P-C4'-P energy: -24.483
tors. eta vs tors. theta energy: -60.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -537.622868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.622868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.622868 (E_RNA)
where:
Base-Base interactions energy: -354.989
where: short stacking energy: -153.059
Base-Backbone interact. energy: -0.537
local terms energy: -182.096338
where:
bonds (distance) C4'-P energy: -38.762
bonds (distance) P-C4' energy: -40.963
flat angles C4'-P-C4' energy: -35.041
flat angles P-C4'-P energy: -19.445
tors. eta vs tors. theta energy: -47.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -372.195624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.195624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.195624 (E_RNA)
where:
Base-Base interactions energy: -214.349
where: short stacking energy: -114.989
Base-Backbone interact. energy: -0.199
local terms energy: -157.647580
where:
bonds (distance) C4'-P energy: -39.831
bonds (distance) P-C4' energy: -38.972
flat angles C4'-P-C4' energy: -38.440
flat angles P-C4'-P energy: -16.816
tors. eta vs tors. theta energy: -23.588
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: 8, replica: 5
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -182.552147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.552147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.552147 (E_RNA)
where:
Base-Base interactions energy: -63.746
where: short stacking energy: -57.229
Base-Backbone interact. energy: -0.106
local terms energy: -118.700271
where:
bonds (distance) C4'-P energy: -30.293
bonds (distance) P-C4' energy: -30.945
flat angles C4'-P-C4' energy: -34.039
flat angles P-C4'-P energy: -22.778
tors. eta vs tors. theta energy: -0.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -186.780535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.780535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.780535 (E_RNA)
where:
Base-Base interactions energy: -68.888
where: short stacking energy: -54.323
Base-Backbone interact. energy: 1.053
local terms energy: -118.945160
where:
bonds (distance) C4'-P energy: -31.646
bonds (distance) P-C4' energy: -28.665
flat angles C4'-P-C4' energy: -33.994
flat angles P-C4'-P energy: -26.296
tors. eta vs tors. theta energy: 1.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -169.023420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.023420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.023420 (E_RNA)
where:
Base-Base interactions energy: -42.426
where: short stacking energy: -40.700
Base-Backbone interact. energy: -1.348
local terms energy: -125.249300
where:
bonds (distance) C4'-P energy: -31.567
bonds (distance) P-C4' energy: -39.697
flat angles C4'-P-C4' energy: -25.849
flat angles P-C4'-P energy: -23.931
tors. eta vs tors. theta energy: -4.204
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: 6
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -632.162604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.162604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.162604 (E_RNA)
where:
Base-Base interactions energy: -428.921
where: short stacking energy: -187.882
Base-Backbone interact. energy: 0.509
local terms energy: -203.751074
where:
bonds (distance) C4'-P energy: -35.322
bonds (distance) P-C4' energy: -32.352
flat angles C4'-P-C4' energy: -44.523
flat angles P-C4'-P energy: -31.816
tors. eta vs tors. theta energy: -59.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -642.791798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.791798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.791798 (E_RNA)
where:
Base-Base interactions energy: -422.486
where: short stacking energy: -197.956
Base-Backbone interact. energy: -0.329
local terms energy: -219.976564
where:
bonds (distance) C4'-P energy: -40.496
bonds (distance) P-C4' energy: -41.097
flat angles C4'-P-C4' energy: -46.712
flat angles P-C4'-P energy: -27.036
tors. eta vs tors. theta energy: -64.636
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: 8
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -610.783709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.783709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.783709 (E_RNA)
where:
Base-Base interactions energy: -397.627
where: short stacking energy: -189.475
Base-Backbone interact. energy: -1.433
local terms energy: -211.723691
where:
bonds (distance) C4'-P energy: -32.434
bonds (distance) P-C4' energy: -38.731
flat angles C4'-P-C4' energy: -43.722
flat angles P-C4'-P energy: -33.352
tors. eta vs tors. theta energy: -63.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -556.129033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.129033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.129033 (E_RNA)
where:
Base-Base interactions energy: -363.251
where: short stacking energy: -165.895
Base-Backbone interact. energy: -0.143
local terms energy: -192.734674
where:
bonds (distance) C4'-P energy: -32.085
bonds (distance) P-C4' energy: -36.382
flat angles C4'-P-C4' energy: -40.049
flat angles P-C4'-P energy: -30.403
tors. eta vs tors. theta energy: -53.816
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: 5, replica: 2
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -564.159708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.159708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.159708 (E_RNA)
where:
Base-Base interactions energy: -378.180
where: short stacking energy: -160.315
Base-Backbone interact. energy: -1.496
local terms energy: -184.483864
where:
bonds (distance) C4'-P energy: -36.401
bonds (distance) P-C4' energy: -33.696
flat angles C4'-P-C4' energy: -39.154
flat angles P-C4'-P energy: -25.507
tors. eta vs tors. theta energy: -49.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -569.945134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.945134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.945134 (E_RNA)
where:
Base-Base interactions energy: -366.188
where: short stacking energy: -180.242
Base-Backbone interact. energy: 1.453
local terms energy: -205.210153
where:
bonds (distance) C4'-P energy: -43.703
bonds (distance) P-C4' energy: -34.183
flat angles C4'-P-C4' energy: -37.644
flat angles P-C4'-P energy: -28.886
tors. eta vs tors. theta energy: -60.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -334.805458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.805458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.805458 (E_RNA)
where:
Base-Base interactions energy: -171.677
where: short stacking energy: -97.683
Base-Backbone interact. energy: 0.068
local terms energy: -163.196268
where:
bonds (distance) C4'-P energy: -35.756
bonds (distance) P-C4' energy: -38.915
flat angles C4'-P-C4' energy: -39.166
flat angles P-C4'-P energy: -25.875
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: 8, replica: 5
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -208.208452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.208452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.208452 (E_RNA)
where:
Base-Base interactions energy: -67.831
where: short stacking energy: -67.831
Base-Backbone interact. energy: -1.064
local terms energy: -139.313618
where:
bonds (distance) C4'-P energy: -42.145
bonds (distance) P-C4' energy: -31.194
flat angles C4'-P-C4' energy: -41.633
flat angles P-C4'-P energy: -19.518
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: 9, replica: 3
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -184.157034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.157034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.157034 (E_RNA)
where:
Base-Base interactions energy: -73.762
where: short stacking energy: -67.076
Base-Backbone interact. energy: -0.857
local terms energy: -109.537752
where:
bonds (distance) C4'-P energy: -26.021
bonds (distance) P-C4' energy: -37.642
flat angles C4'-P-C4' energy: -30.057
flat angles P-C4'-P energy: -18.800
tors. eta vs tors. theta energy: 2.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -171.024437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.024437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.024437 (E_RNA)
where:
Base-Base interactions energy: -72.250
where: short stacking energy: -53.842
Base-Backbone interact. energy: -0.587
local terms energy: -98.187836
where:
bonds (distance) C4'-P energy: -34.777
bonds (distance) P-C4' energy: -34.227
flat angles C4'-P-C4' energy: -17.488
flat angles P-C4'-P energy: -13.395
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: 6
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -638.277151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.277151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.277151 (E_RNA)
where:
Base-Base interactions energy: -423.627
where: short stacking energy: -189.155
Base-Backbone interact. energy: -0.882
local terms energy: -213.767331
where:
bonds (distance) C4'-P energy: -41.659
bonds (distance) P-C4' energy: -45.437
flat angles C4'-P-C4' energy: -46.376
flat angles P-C4'-P energy: -27.232
tors. eta vs tors. theta energy: -53.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -654.735714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.735714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.735714 (E_RNA)
where:
Base-Base interactions energy: -424.610
where: short stacking energy: -198.089
Base-Backbone interact. energy: -0.271
local terms energy: -229.854598
where:
bonds (distance) C4'-P energy: -41.979
bonds (distance) P-C4' energy: -43.083
flat angles C4'-P-C4' energy: -45.128
flat angles P-C4'-P energy: -32.195
tors. eta vs tors. theta energy: -67.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -596.921571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.921571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.921571 (E_RNA)
where:
Base-Base interactions energy: -400.673
where: short stacking energy: -193.960
Base-Backbone interact. energy: -0.404
local terms energy: -195.844335
where:
bonds (distance) C4'-P energy: -36.503
bonds (distance) P-C4' energy: -28.237
flat angles C4'-P-C4' energy: -40.111
flat angles P-C4'-P energy: -32.098
tors. eta vs tors. theta energy: -58.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -599.115416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.115416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.115416 (E_RNA)
where:
Base-Base interactions energy: -398.983
where: short stacking energy: -164.954
Base-Backbone interact. energy: -0.225
local terms energy: -199.907330
where:
bonds (distance) C4'-P energy: -36.183
bonds (distance) P-C4' energy: -34.684
flat angles C4'-P-C4' energy: -41.657
flat angles P-C4'-P energy: -33.902
tors. eta vs tors. theta energy: -53.482
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: 7
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -550.732456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.732456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.732456 (E_RNA)
where:
Base-Base interactions energy: -364.907
where: short stacking energy: -157.433
Base-Backbone interact. energy: -0.392
local terms energy: -185.433508
where:
bonds (distance) C4'-P energy: -31.950
bonds (distance) P-C4' energy: -42.227
flat angles C4'-P-C4' energy: -39.596
flat angles P-C4'-P energy: -19.877
tors. eta vs tors. theta energy: -51.784
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: 6, replica: 9
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -552.297623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.297623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.297623 (E_RNA)
where:
Base-Base interactions energy: -365.002
where: short stacking energy: -179.578
Base-Backbone interact. energy: 0.479
local terms energy: -187.773968
where:
bonds (distance) C4'-P energy: -35.385
bonds (distance) P-C4' energy: -32.924
flat angles C4'-P-C4' energy: -40.444
flat angles P-C4'-P energy: -27.577
tors. eta vs tors. theta energy: -51.444
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: 315
Temperature: 1.200000
Total energy: -303.813014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.813014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.813014 (E_RNA)
where:
Base-Base interactions energy: -142.242
where: short stacking energy: -79.975
Base-Backbone interact. energy: -0.034
local terms energy: -161.536684
where:
bonds (distance) C4'-P energy: -37.803
bonds (distance) P-C4' energy: -45.835
flat angles C4'-P-C4' energy: -32.591
flat angles P-C4'-P energy: -31.649
tors. eta vs tors. theta energy: -13.659
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: 3
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -186.702999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.702999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.702999 (E_RNA)
where:
Base-Base interactions energy: -68.053
where: short stacking energy: -50.272
Base-Backbone interact. energy: 1.529
local terms energy: -120.179245
where:
bonds (distance) C4'-P energy: -31.400
bonds (distance) P-C4' energy: -28.081
flat angles C4'-P-C4' energy: -40.758
flat angles P-C4'-P energy: -17.923
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: 9, replica: 5
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -196.624611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.624611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.624611 (E_RNA)
where:
Base-Base interactions energy: -70.735
where: short stacking energy: -54.602
Base-Backbone interact. energy: -0.145
local terms energy: -125.744117
where:
bonds (distance) C4'-P energy: -39.322
bonds (distance) P-C4' energy: -35.102
flat angles C4'-P-C4' energy: -29.352
flat angles P-C4'-P energy: -24.085
tors. eta vs tors. theta energy: 2.116
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: 10
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -168.166521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.166521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.166521 (E_RNA)
where:
Base-Base interactions energy: -65.503
where: short stacking energy: -54.366
Base-Backbone interact. energy: -1.234
local terms energy: -101.429358
where:
bonds (distance) C4'-P energy: -35.933
bonds (distance) P-C4' energy: -33.437
flat angles C4'-P-C4' energy: -30.403
flat angles P-C4'-P energy: -11.692
tors. eta vs tors. theta energy: 10.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -678.753180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.753180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.753180 (E_RNA)
where:
Base-Base interactions energy: -441.295
where: short stacking energy: -190.307
Base-Backbone interact. energy: -0.035
local terms energy: -237.422926
where:
bonds (distance) C4'-P energy: -44.739
bonds (distance) P-C4' energy: -44.657
flat angles C4'-P-C4' energy: -50.675
flat angles P-C4'-P energy: -32.368
tors. eta vs tors. theta energy: -64.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -640.455608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.455608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.455608 (E_RNA)
where:
Base-Base interactions energy: -432.550
where: short stacking energy: -201.046
Base-Backbone interact. energy: -0.181
local terms energy: -207.725537
where:
bonds (distance) C4'-P energy: -38.340
bonds (distance) P-C4' energy: -33.428
flat angles C4'-P-C4' energy: -48.557
flat angles P-C4'-P energy: -27.437
tors. eta vs tors. theta energy: -59.964
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: 3, replica: 2
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -616.564836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.564836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.564836 (E_RNA)
where:
Base-Base interactions energy: -413.696
where: short stacking energy: -179.251
Base-Backbone interact. energy: -2.480
local terms energy: -200.389721
where:
bonds (distance) C4'-P energy: -45.801
bonds (distance) P-C4' energy: -32.368
flat angles C4'-P-C4' energy: -34.112
flat angles P-C4'-P energy: -30.759
tors. eta vs tors. theta energy: -57.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -571.018932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.018932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.018932 (E_RNA)
where:
Base-Base interactions energy: -381.401
where: short stacking energy: -167.228
Base-Backbone interact. energy: -0.516
local terms energy: -189.102191
where:
bonds (distance) C4'-P energy: -34.145
bonds (distance) P-C4' energy: -34.197
flat angles C4'-P-C4' energy: -42.653
flat angles P-C4'-P energy: -23.075
tors. eta vs tors. theta energy: -55.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -550.674826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.674826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.674826 (E_RNA)
where:
Base-Base interactions energy: -345.544
where: short stacking energy: -151.864
Base-Backbone interact. energy: -0.068
local terms energy: -205.062648
where:
bonds (distance) C4'-P energy: -41.842
bonds (distance) P-C4' energy: -42.632
flat angles C4'-P-C4' energy: -40.730
flat angles P-C4'-P energy: -29.936
tors. eta vs tors. theta energy: -49.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -560.156420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.156420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.156420 (E_RNA)
where:
Base-Base interactions energy: -367.637
where: short stacking energy: -184.739
Base-Backbone interact. energy: -0.767
local terms energy: -191.752925
where:
bonds (distance) C4'-P energy: -27.718
bonds (distance) P-C4' energy: -38.948
flat angles C4'-P-C4' energy: -39.994
flat angles P-C4'-P energy: -28.830
tors. eta vs tors. theta energy: -56.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -285.079571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.079571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.079571 (E_RNA)
where:
Base-Base interactions energy: -149.514
where: short stacking energy: -79.308
Base-Backbone interact. energy: -0.618
local terms energy: -134.947753
where:
bonds (distance) C4'-P energy: -39.144
bonds (distance) P-C4' energy: -36.439
flat angles C4'-P-C4' energy: -25.139
flat angles P-C4'-P energy: -22.949
tors. eta vs tors. theta energy: -11.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -219.729605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.729605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.729605 (E_RNA)
where:
Base-Base interactions energy: -89.470
where: short stacking energy: -67.941
Base-Backbone interact. energy: -0.194
local terms energy: -130.065217
where:
bonds (distance) C4'-P energy: -33.334
bonds (distance) P-C4' energy: -40.465
flat angles C4'-P-C4' energy: -32.657
flat angles P-C4'-P energy: -20.019
tors. eta vs tors. theta energy: -3.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -190.414931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.414931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.414931 (E_RNA)
where:
Base-Base interactions energy: -81.727
where: short stacking energy: -63.144
Base-Backbone interact. energy: -0.829
local terms energy: -107.858633
where:
bonds (distance) C4'-P energy: -24.589
bonds (distance) P-C4' energy: -34.007
flat angles C4'-P-C4' energy: -31.297
flat angles P-C4'-P energy: -17.376
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: 10, replica: 5
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -163.539010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.539010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.539010 (E_RNA)
where:
Base-Base interactions energy: -50.393
where: short stacking energy: -40.566
Base-Backbone interact. energy: -0.309
local terms energy: -112.836439
where:
bonds (distance) C4'-P energy: -30.780
bonds (distance) P-C4' energy: -27.437
flat angles C4'-P-C4' energy: -29.058
flat angles P-C4'-P energy: -22.121
tors. eta vs tors. theta energy: -3.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -659.591580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.591580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.591580 (E_RNA)
where:
Base-Base interactions energy: -432.464
where: short stacking energy: -194.662
Base-Backbone interact. energy: 0.599
local terms energy: -227.726694
where:
bonds (distance) C4'-P energy: -46.688
bonds (distance) P-C4' energy: -40.866
flat angles C4'-P-C4' energy: -43.406
flat angles P-C4'-P energy: -33.366
tors. eta vs tors. theta energy: -63.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -637.571591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.571591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.571591 (E_RNA)
where:
Base-Base interactions energy: -428.235
where: short stacking energy: -189.432
Base-Backbone interact. energy: -1.354
local terms energy: -207.982828
where:
bonds (distance) C4'-P energy: -34.427
bonds (distance) P-C4' energy: -41.031
flat angles C4'-P-C4' energy: -43.021
flat angles P-C4'-P energy: -28.001
tors. eta vs tors. theta energy: -61.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -624.659610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.659610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.659610 (E_RNA)
where:
Base-Base interactions energy: -407.706
where: short stacking energy: -178.744
Base-Backbone interact. energy: -0.708
local terms energy: -216.245718
where:
bonds (distance) C4'-P energy: -38.125
bonds (distance) P-C4' energy: -37.775
flat angles C4'-P-C4' energy: -45.965
flat angles P-C4'-P energy: -35.360
tors. eta vs tors. theta energy: -59.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -584.482432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.482432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.482432 (E_RNA)
where:
Base-Base interactions energy: -374.704
where: short stacking energy: -173.002
Base-Backbone interact. energy: -1.030
local terms energy: -208.747949
where:
bonds (distance) C4'-P energy: -39.296
bonds (distance) P-C4' energy: -43.943
flat angles C4'-P-C4' energy: -41.321
flat angles P-C4'-P energy: -30.558
tors. eta vs tors. theta energy: -53.630
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: 8
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -569.055611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.055611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.055611 (E_RNA)
where:
Base-Base interactions energy: -374.779
where: short stacking energy: -177.901
Base-Backbone interact. energy: -0.538
local terms energy: -193.738439
where:
bonds (distance) C4'-P energy: -35.906
bonds (distance) P-C4' energy: -37.903
flat angles C4'-P-C4' energy: -41.661
flat angles P-C4'-P energy: -21.721
tors. eta vs tors. theta energy: -56.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -550.990232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.990232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.990232 (E_RNA)
where:
Base-Base interactions energy: -363.806
where: short stacking energy: -172.035
Base-Backbone interact. energy: -1.688
local terms energy: -185.495376
where:
bonds (distance) C4'-P energy: -35.260
bonds (distance) P-C4' energy: -33.661
flat angles C4'-P-C4' energy: -40.542
flat angles P-C4'-P energy: -26.911
tors. eta vs tors. theta energy: -49.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -300.593865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.593865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.593865 (E_RNA)
where:
Base-Base interactions energy: -156.043
where: short stacking energy: -100.018
Base-Backbone interact. energy: -0.756
local terms energy: -143.794899
where:
bonds (distance) C4'-P energy: -30.326
bonds (distance) P-C4' energy: -43.126
flat angles C4'-P-C4' energy: -32.313
flat angles P-C4'-P energy: -16.742
tors. eta vs tors. theta energy: -21.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -191.401343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.401343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.401343 (E_RNA)
where:
Base-Base interactions energy: -79.913
where: short stacking energy: -47.986
Base-Backbone interact. energy: -1.756
local terms energy: -109.733024
where:
bonds (distance) C4'-P energy: -31.720
bonds (distance) P-C4' energy: -41.757
flat angles C4'-P-C4' energy: -38.784
flat angles P-C4'-P energy: -9.783
tors. eta vs tors. theta energy: 12.311
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: 10
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -187.577749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.577749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.577749 (E_RNA)
where:
Base-Base interactions energy: -72.022
where: short stacking energy: -48.872
Base-Backbone interact. energy: -0.563
local terms energy: -114.992555
where:
bonds (distance) C4'-P energy: -34.618
bonds (distance) P-C4' energy: -40.204
flat angles C4'-P-C4' energy: -31.288
flat angles P-C4'-P energy: -11.224
tors. eta vs tors. theta energy: 2.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -176.802194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.802194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.802194 (E_RNA)
where:
Base-Base interactions energy: -77.355
where: short stacking energy: -49.655
Base-Backbone interact. energy: -0.825
local terms energy: -98.622174
where:
bonds (distance) C4'-P energy: -23.537
bonds (distance) P-C4' energy: -41.228
flat angles C4'-P-C4' energy: -24.340
flat angles P-C4'-P energy: -12.236
tors. eta vs tors. theta energy: 2.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -656.176427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.176427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.176427 (E_RNA)
where:
Base-Base interactions energy: -428.394
where: short stacking energy: -192.433
Base-Backbone interact. energy: -0.997
local terms energy: -226.785692
where:
bonds (distance) C4'-P energy: -42.408
bonds (distance) P-C4' energy: -39.289
flat angles C4'-P-C4' energy: -45.547
flat angles P-C4'-P energy: -38.258
tors. eta vs tors. theta energy: -61.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -646.660647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.660647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.660647 (E_RNA)
where:
Base-Base interactions energy: -436.145
where: short stacking energy: -188.077
Base-Backbone interact. energy: -0.197
local terms energy: -210.318849
where:
bonds (distance) C4'-P energy: -38.570
bonds (distance) P-C4' energy: -42.311
flat angles C4'-P-C4' energy: -43.778
flat angles P-C4'-P energy: -26.197
tors. eta vs tors. theta energy: -59.462
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: 2
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -633.012858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.012858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.012858 (E_RNA)
where:
Base-Base interactions energy: -436.789
where: short stacking energy: -194.658
Base-Backbone interact. energy: -1.028
local terms energy: -195.195360
where:
bonds (distance) C4'-P energy: -38.176
bonds (distance) P-C4' energy: -31.390
flat angles C4'-P-C4' energy: -40.015
flat angles P-C4'-P energy: -30.928
tors. eta vs tors. theta energy: -54.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -576.739815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.739815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.739815 (E_RNA)
where:
Base-Base interactions energy: -379.139
where: short stacking energy: -178.936
Base-Backbone interact. energy: -0.185
local terms energy: -197.415997
where:
bonds (distance) C4'-P energy: -35.812
bonds (distance) P-C4' energy: -37.238
flat angles C4'-P-C4' energy: -41.117
flat angles P-C4'-P energy: -29.500
tors. eta vs tors. theta energy: -53.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -560.010694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.010694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.010694 (E_RNA)
where:
Base-Base interactions energy: -355.737
where: short stacking energy: -154.772
Base-Backbone interact. energy: -0.338
local terms energy: -203.935211
where:
bonds (distance) C4'-P energy: -35.405
bonds (distance) P-C4' energy: -43.826
flat angles C4'-P-C4' energy: -41.069
flat angles P-C4'-P energy: -24.597
tors. eta vs tors. theta energy: -59.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -542.369502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.369502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.369502 (E_RNA)
where:
Base-Base interactions energy: -348.424
where: short stacking energy: -157.698
Base-Backbone interact. energy: -0.826
local terms energy: -193.119160
where:
bonds (distance) C4'-P energy: -40.631
bonds (distance) P-C4' energy: -33.865
flat angles C4'-P-C4' energy: -44.447
flat angles P-C4'-P energy: -26.361
tors. eta vs tors. theta energy: -47.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -360.003610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.003610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.003610 (E_RNA)
where:
Base-Base interactions energy: -220.121
where: short stacking energy: -102.407
Base-Backbone interact. energy: 2.552
local terms energy: -142.434511
where:
bonds (distance) C4'-P energy: -27.539
bonds (distance) P-C4' energy: -47.084
flat angles C4'-P-C4' energy: -29.724
flat angles P-C4'-P energy: -22.573
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: 8, replica: 3
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -189.201352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.201352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.201352 (E_RNA)
where:
Base-Base interactions energy: -68.409
where: short stacking energy: -40.818
Base-Backbone interact. energy: -0.895
local terms energy: -119.897414
where:
bonds (distance) C4'-P energy: -36.077
bonds (distance) P-C4' energy: -39.554
flat angles C4'-P-C4' energy: -30.017
flat angles P-C4'-P energy: -24.235
tors. eta vs tors. theta energy: 9.986
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: 9, replica: 10
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -192.426440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.426440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.426440 (E_RNA)
where:
Base-Base interactions energy: -70.794
where: short stacking energy: -56.126
Base-Backbone interact. energy: -0.375
local terms energy: -121.257273
where:
bonds (distance) C4'-P energy: -32.040
bonds (distance) P-C4' energy: -33.263
flat angles C4'-P-C4' energy: -34.706
flat angles P-C4'-P energy: -21.806
tors. eta vs tors. theta energy: 0.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -204.180010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.180010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.180010 (E_RNA)
where:
Base-Base interactions energy: -90.631
where: short stacking energy: -53.266
Base-Backbone interact. energy: 6.482
local terms energy: -120.031792
where:
bonds (distance) C4'-P energy: -28.413
bonds (distance) P-C4' energy: -35.169
flat angles C4'-P-C4' energy: -32.320
flat angles P-C4'-P energy: -16.796
tors. eta vs tors. theta energy: -7.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -665.515636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.515636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.515636 (E_RNA)
where:
Base-Base interactions energy: -440.235
where: short stacking energy: -205.117
Base-Backbone interact. energy: -0.418
local terms energy: -224.862875
where:
bonds (distance) C4'-P energy: -45.774
bonds (distance) P-C4' energy: -36.975
flat angles C4'-P-C4' energy: -47.684
flat angles P-C4'-P energy: -31.976
tors. eta vs tors. theta energy: -62.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -660.343614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.343614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.343614 (E_RNA)
where:
Base-Base interactions energy: -446.783
where: short stacking energy: -202.835
Base-Backbone interact. energy: -1.727
local terms energy: -211.833785
where:
bonds (distance) C4'-P energy: -36.342
bonds (distance) P-C4' energy: -41.172
flat angles C4'-P-C4' energy: -44.193
flat angles P-C4'-P energy: -29.290
tors. eta vs tors. theta energy: -60.837
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: 3, replica: 2
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -605.436688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.436688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.436688 (E_RNA)
where:
Base-Base interactions energy: -401.663
where: short stacking energy: -188.860
Base-Backbone interact. energy: -0.174
local terms energy: -203.599592
where:
bonds (distance) C4'-P energy: -31.371
bonds (distance) P-C4' energy: -44.309
flat angles C4'-P-C4' energy: -42.395
flat angles P-C4'-P energy: -26.668
tors. eta vs tors. theta energy: -58.857
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: 7
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -560.416105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.416105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.416105 (E_RNA)
where:
Base-Base interactions energy: -377.092
where: short stacking energy: -181.162
Base-Backbone interact. energy: -0.119
local terms energy: -183.205636
where:
bonds (distance) C4'-P energy: -26.406
bonds (distance) P-C4' energy: -35.975
flat angles C4'-P-C4' energy: -39.703
flat angles P-C4'-P energy: -31.462
tors. eta vs tors. theta energy: -49.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -548.083158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.083158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.083158 (E_RNA)
where:
Base-Base interactions energy: -358.885
where: short stacking energy: -167.099
Base-Backbone interact. energy: -0.143
local terms energy: -189.055128
where:
bonds (distance) C4'-P energy: -40.808
bonds (distance) P-C4' energy: -27.059
flat angles C4'-P-C4' energy: -37.112
flat angles P-C4'-P energy: -28.248
tors. eta vs tors. theta energy: -55.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -539.074293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.074293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.074293 (E_RNA)
where:
Base-Base interactions energy: -360.146
where: short stacking energy: -171.691
Base-Backbone interact. energy: -0.400
local terms energy: -178.527457
where:
bonds (distance) C4'-P energy: -37.319
bonds (distance) P-C4' energy: -28.923
flat angles C4'-P-C4' energy: -37.015
flat angles P-C4'-P energy: -26.369
tors. eta vs tors. theta energy: -48.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -358.628358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.628358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.628358 (E_RNA)
where:
Base-Base interactions energy: -223.362
where: short stacking energy: -108.881
Base-Backbone interact. energy: -1.792
local terms energy: -133.474837
where:
bonds (distance) C4'-P energy: -33.954
bonds (distance) P-C4' energy: -28.272
flat angles C4'-P-C4' energy: -26.038
flat angles P-C4'-P energy: -24.777
tors. eta vs tors. theta energy: -20.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -199.123125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.123125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.123125 (E_RNA)
where:
Base-Base interactions energy: -79.196
where: short stacking energy: -44.753
Base-Backbone interact. energy: -2.095
local terms energy: -117.832022
where:
bonds (distance) C4'-P energy: -37.703
bonds (distance) P-C4' energy: -32.116
flat angles C4'-P-C4' energy: -30.727
flat angles P-C4'-P energy: -22.460
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: 9, replica: 3
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -172.042481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.042481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.042481 (E_RNA)
where:
Base-Base interactions energy: -60.001
where: short stacking energy: -43.831
Base-Backbone interact. energy: 0.450
local terms energy: -112.491082
where:
bonds (distance) C4'-P energy: -33.414
bonds (distance) P-C4' energy: -36.726
flat angles C4'-P-C4' energy: -36.255
flat angles P-C4'-P energy: -6.712
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: 10, replica: 5
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -194.964744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.964744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.964744 (E_RNA)
where:
Base-Base interactions energy: -88.951
where: short stacking energy: -72.933
Base-Backbone interact. energy: 0.327
local terms energy: -106.340832
where:
bonds (distance) C4'-P energy: -21.385
bonds (distance) P-C4' energy: -33.502
flat angles C4'-P-C4' energy: -30.820
flat angles P-C4'-P energy: -18.490
tors. eta vs tors. theta energy: -2.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -675.510517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.510517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.510517 (E_RNA)
where:
Base-Base interactions energy: -452.363
where: short stacking energy: -210.782
Base-Backbone interact. energy: -0.755
local terms energy: -222.392393
where:
bonds (distance) C4'-P energy: -38.186
bonds (distance) P-C4' energy: -45.323
flat angles C4'-P-C4' energy: -44.725
flat angles P-C4'-P energy: -30.901
tors. eta vs tors. theta energy: -63.256
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: 2, replica: 6
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -653.760712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.760712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.760712 (E_RNA)
where:
Base-Base interactions energy: -452.542
where: short stacking energy: -192.921
Base-Backbone interact. energy: -0.915
local terms energy: -200.303899
where:
bonds (distance) C4'-P energy: -40.209
bonds (distance) P-C4' energy: -25.772
flat angles C4'-P-C4' energy: -39.353
flat angles P-C4'-P energy: -32.254
tors. eta vs tors. theta energy: -62.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -620.736288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.736288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.736288 (E_RNA)
where:
Base-Base interactions energy: -414.884
where: short stacking energy: -185.686
Base-Backbone interact. energy: -0.900
local terms energy: -204.951945
where:
bonds (distance) C4'-P energy: -32.782
bonds (distance) P-C4' energy: -38.275
flat angles C4'-P-C4' energy: -42.841
flat angles P-C4'-P energy: -32.675
tors. eta vs tors. theta energy: -58.379
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: 7
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -577.258090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.258090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.258090 (E_RNA)
where:
Base-Base interactions energy: -372.287
where: short stacking energy: -183.867
Base-Backbone interact. energy: -0.182
local terms energy: -204.789432
where:
bonds (distance) C4'-P energy: -35.000
bonds (distance) P-C4' energy: -37.490
flat angles C4'-P-C4' energy: -45.857
flat angles P-C4'-P energy: -33.076
tors. eta vs tors. theta energy: -53.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -552.281810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.281810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.281810 (E_RNA)
where:
Base-Base interactions energy: -366.962
where: short stacking energy: -184.357
Base-Backbone interact. energy: -0.508
local terms energy: -184.812287
where:
bonds (distance) C4'-P energy: -32.893
bonds (distance) P-C4' energy: -32.228
flat angles C4'-P-C4' energy: -35.980
flat angles P-C4'-P energy: -26.210
tors. eta vs tors. theta energy: -57.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -529.428211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.428211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.428211 (E_RNA)
where:
Base-Base interactions energy: -345.714
where: short stacking energy: -158.539
Base-Backbone interact. energy: 0.049
local terms energy: -183.763330
where:
bonds (distance) C4'-P energy: -32.458
bonds (distance) P-C4' energy: -34.616
flat angles C4'-P-C4' energy: -43.619
flat angles P-C4'-P energy: -23.096
tors. eta vs tors. theta energy: -49.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -433.458891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.458891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.458891 (E_RNA)
where:
Base-Base interactions energy: -273.080
where: short stacking energy: -110.227
Base-Backbone interact. energy: -0.519
local terms energy: -159.859601
where:
bonds (distance) C4'-P energy: -32.330
bonds (distance) P-C4' energy: -38.583
flat angles C4'-P-C4' energy: -37.866
flat angles P-C4'-P energy: -18.591
tors. eta vs tors. theta energy: -32.491
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: 8, replica: 10
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -198.756655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.756655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.756655 (E_RNA)
where:
Base-Base interactions energy: -75.026
where: short stacking energy: -65.128
Base-Backbone interact. energy: -0.113
local terms energy: -123.617832
where:
bonds (distance) C4'-P energy: -32.205
bonds (distance) P-C4' energy: -31.446
flat angles C4'-P-C4' energy: -27.873
flat angles P-C4'-P energy: -26.809
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: 9, replica: 5
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -175.270217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.270217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.270217 (E_RNA)
where:
Base-Base interactions energy: -49.001
where: short stacking energy: -42.716
Base-Backbone interact. energy: 0.337
local terms energy: -126.606323
where:
bonds (distance) C4'-P energy: -36.121
bonds (distance) P-C4' energy: -35.639
flat angles C4'-P-C4' energy: -29.696
flat angles P-C4'-P energy: -22.136
tors. eta vs tors. theta energy: -3.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -164.092880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.092880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.092880 (E_RNA)
where:
Base-Base interactions energy: -42.149
where: short stacking energy: -35.234
Base-Backbone interact. energy: -1.184
local terms energy: -120.760188
where:
bonds (distance) C4'-P energy: -40.550
bonds (distance) P-C4' energy: -35.839
flat angles C4'-P-C4' energy: -28.480
flat angles P-C4'-P energy: -18.863
tors. eta vs tors. theta energy: 2.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -662.113343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.113343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.113343 (E_RNA)
where:
Base-Base interactions energy: -439.689
where: short stacking energy: -196.919
Base-Backbone interact. energy: -0.272
local terms energy: -222.152410
where:
bonds (distance) C4'-P energy: -42.559
bonds (distance) P-C4' energy: -34.388
flat angles C4'-P-C4' energy: -47.102
flat angles P-C4'-P energy: -33.772
tors. eta vs tors. theta energy: -64.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -669.651591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.651591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.651591 (E_RNA)
where:
Base-Base interactions energy: -450.096
where: short stacking energy: -204.917
Base-Backbone interact. energy: -1.348
local terms energy: -218.207778
where:
bonds (distance) C4'-P energy: -40.221
bonds (distance) P-C4' energy: -35.442
flat angles C4'-P-C4' energy: -46.792
flat angles P-C4'-P energy: -33.059
tors. eta vs tors. theta energy: -62.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -609.650490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.650490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.650490 (E_RNA)
where:
Base-Base interactions energy: -406.464
where: short stacking energy: -179.739
Base-Backbone interact. energy: -0.687
local terms energy: -202.499345
where:
bonds (distance) C4'-P energy: -33.754
bonds (distance) P-C4' energy: -39.424
flat angles C4'-P-C4' energy: -45.159
flat angles P-C4'-P energy: -31.420
tors. eta vs tors. theta energy: -52.743
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: 7
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -581.817428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.817428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.817428 (E_RNA)
where:
Base-Base interactions energy: -362.684
where: short stacking energy: -179.261
Base-Backbone interact. energy: -0.530
local terms energy: -218.603935
where:
bonds (distance) C4'-P energy: -42.187
bonds (distance) P-C4' energy: -41.817
flat angles C4'-P-C4' energy: -47.938
flat angles P-C4'-P energy: -29.713
tors. eta vs tors. theta energy: -56.949
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: 5, replica: 8
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -524.678560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.678560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.678560 (E_RNA)
where:
Base-Base interactions energy: -337.439
where: short stacking energy: -163.445
Base-Backbone interact. energy: -1.999
local terms energy: -185.240956
where:
bonds (distance) C4'-P energy: -41.150
bonds (distance) P-C4' energy: -29.814
flat angles C4'-P-C4' energy: -31.517
flat angles P-C4'-P energy: -34.025
tors. eta vs tors. theta energy: -48.735
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: 321
Temperature: 1.150000
Total energy: -513.882665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.882665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.882665 (E_RNA)
where:
Base-Base interactions energy: -345.765
where: short stacking energy: -132.415
Base-Backbone interact. energy: -0.497
local terms energy: -167.620120
where:
bonds (distance) C4'-P energy: -30.777
bonds (distance) P-C4' energy: -38.351
flat angles C4'-P-C4' energy: -35.023
flat angles P-C4'-P energy: -26.831
tors. eta vs tors. theta energy: -36.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -536.135603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.135603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.135603 (E_RNA)
where:
Base-Base interactions energy: -353.413
where: short stacking energy: -172.032
Base-Backbone interact. energy: -0.192
local terms energy: -182.530550
where:
bonds (distance) C4'-P energy: -33.219
bonds (distance) P-C4' energy: -26.372
flat angles C4'-P-C4' energy: -40.931
flat angles P-C4'-P energy: -30.560
tors. eta vs tors. theta energy: -51.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -186.219339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.219339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.219339 (E_RNA)
where:
Base-Base interactions energy: -76.247
where: short stacking energy: -67.838
Base-Backbone interact. energy: 2.888
local terms energy: -112.860757
where:
bonds (distance) C4'-P energy: -29.090
bonds (distance) P-C4' energy: -37.385
flat angles C4'-P-C4' energy: -25.213
flat angles P-C4'-P energy: -14.517
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: 10
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -176.198276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.198276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.198276 (E_RNA)
where:
Base-Base interactions energy: -65.788
where: short stacking energy: -36.405
Base-Backbone interact. energy: -0.414
local terms energy: -109.996342
where:
bonds (distance) C4'-P energy: -28.496
bonds (distance) P-C4' energy: -34.441
flat angles C4'-P-C4' energy: -36.002
flat angles P-C4'-P energy: -12.322
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: 10, replica: 3
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -169.173248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.173248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.173248 (E_RNA)
where:
Base-Base interactions energy: -62.406
where: short stacking energy: -48.834
Base-Backbone interact. energy: 1.321
local terms energy: -108.088149
where:
bonds (distance) C4'-P energy: -39.757
bonds (distance) P-C4' energy: -27.901
flat angles C4'-P-C4' energy: -27.697
flat angles P-C4'-P energy: -18.969
tors. eta vs tors. theta energy: 6.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -650.571294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.571294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.571294 (E_RNA)
where:
Base-Base interactions energy: -426.525
where: short stacking energy: -195.907
Base-Backbone interact. energy: -0.453
local terms energy: -223.592905
where:
bonds (distance) C4'-P energy: -40.274
bonds (distance) P-C4' energy: -39.335
flat angles C4'-P-C4' energy: -44.850
flat angles P-C4'-P energy: -33.977
tors. eta vs tors. theta energy: -65.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -645.603576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.603576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.603576 (E_RNA)
where:
Base-Base interactions energy: -438.459
where: short stacking energy: -185.478
Base-Backbone interact. energy: -0.199
local terms energy: -206.945492
where:
bonds (distance) C4'-P energy: -37.265
bonds (distance) P-C4' energy: -36.839
flat angles C4'-P-C4' energy: -41.854
flat angles P-C4'-P energy: -30.615
tors. eta vs tors. theta energy: -60.372
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: 2
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -609.714045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.714045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.714045 (E_RNA)
where:
Base-Base interactions energy: -401.629
where: short stacking energy: -178.469
Base-Backbone interact. energy: -0.283
local terms energy: -207.802171
where:
bonds (distance) C4'-P energy: -37.123
bonds (distance) P-C4' energy: -40.232
flat angles C4'-P-C4' energy: -42.698
flat angles P-C4'-P energy: -32.681
tors. eta vs tors. theta energy: -55.067
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: 7
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -567.402974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.402974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.402974 (E_RNA)
where:
Base-Base interactions energy: -369.684
where: short stacking energy: -163.570
Base-Backbone interact. energy: 1.658
local terms energy: -199.377529
where:
bonds (distance) C4'-P energy: -36.305
bonds (distance) P-C4' energy: -39.445
flat angles C4'-P-C4' energy: -43.744
flat angles P-C4'-P energy: -33.116
tors. eta vs tors. theta energy: -46.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -507.871418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.871418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.871418 (E_RNA)
where:
Base-Base interactions energy: -326.125
where: short stacking energy: -145.078
Base-Backbone interact. energy: -0.590
local terms energy: -181.157046
where:
bonds (distance) C4'-P energy: -36.316
bonds (distance) P-C4' energy: -33.641
flat angles C4'-P-C4' energy: -40.330
flat angles P-C4'-P energy: -26.336
tors. eta vs tors. theta energy: -44.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -540.378835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.378835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.378835 (E_RNA)
where:
Base-Base interactions energy: -357.315
where: short stacking energy: -167.575
Base-Backbone interact. energy: -0.641
local terms energy: -182.422724
where:
bonds (distance) C4'-P energy: -30.747
bonds (distance) P-C4' energy: -39.340
flat angles C4'-P-C4' energy: -41.928
flat angles P-C4'-P energy: -23.529
tors. eta vs tors. theta energy: -46.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -514.609637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.609637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.609637 (E_RNA)
where:
Base-Base interactions energy: -349.012
where: short stacking energy: -151.840
Base-Backbone interact. energy: -0.445
local terms energy: -165.153512
where:
bonds (distance) C4'-P energy: -26.519
bonds (distance) P-C4' energy: -30.668
flat angles C4'-P-C4' energy: -38.219
flat angles P-C4'-P energy: -30.231
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: 8, replica: 5
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -198.298024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.298024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.298024 (E_RNA)
where:
Base-Base interactions energy: -75.441
where: short stacking energy: -56.729
Base-Backbone interact. energy: 0.629
local terms energy: -123.485522
where:
bonds (distance) C4'-P energy: -40.087
bonds (distance) P-C4' energy: -41.086
flat angles C4'-P-C4' energy: -27.614
flat angles P-C4'-P energy: -23.022
tors. eta vs tors. theta energy: 8.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -183.844863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.844863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.844863 (E_RNA)
where:
Base-Base interactions energy: -70.376
where: short stacking energy: -58.316
Base-Backbone interact. energy: -0.055
local terms energy: -113.414302
where:
bonds (distance) C4'-P energy: -23.715
bonds (distance) P-C4' energy: -38.192
flat angles C4'-P-C4' energy: -40.420
flat angles P-C4'-P energy: -16.258
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: 10
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -158.363975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.363975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.363975 (E_RNA)
where:
Base-Base interactions energy: -43.638
where: short stacking energy: -37.641
Base-Backbone interact. energy: -0.383
local terms energy: -114.342680
where:
bonds (distance) C4'-P energy: -37.777
bonds (distance) P-C4' energy: -26.555
flat angles C4'-P-C4' energy: -35.629
flat angles P-C4'-P energy: -17.830
tors. eta vs tors. theta energy: 3.448
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: 4
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -634.614175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.614175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.614175 (E_RNA)
where:
Base-Base interactions energy: -429.950
where: short stacking energy: -185.513
Base-Backbone interact. energy: -0.828
local terms energy: -203.836000
where:
bonds (distance) C4'-P energy: -35.311
bonds (distance) P-C4' energy: -41.142
flat angles C4'-P-C4' energy: -46.145
flat angles P-C4'-P energy: -26.659
tors. eta vs tors. theta energy: -54.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -639.879020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.879020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.879020 (E_RNA)
where:
Base-Base interactions energy: -439.109
where: short stacking energy: -176.470
Base-Backbone interact. energy: -1.669
local terms energy: -199.101452
where:
bonds (distance) C4'-P energy: -37.605
bonds (distance) P-C4' energy: -36.602
flat angles C4'-P-C4' energy: -41.486
flat angles P-C4'-P energy: -28.098
tors. eta vs tors. theta energy: -55.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -649.284351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.284351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.284351 (E_RNA)
where:
Base-Base interactions energy: -455.061
where: short stacking energy: -204.504
Base-Backbone interact. energy: -1.091
local terms energy: -193.132028
where:
bonds (distance) C4'-P energy: -31.593
bonds (distance) P-C4' energy: -38.634
flat angles C4'-P-C4' energy: -39.033
flat angles P-C4'-P energy: -24.532
tors. eta vs tors. theta energy: -59.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -562.721166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.721166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.721166 (E_RNA)
where:
Base-Base interactions energy: -366.220
where: short stacking energy: -179.372
Base-Backbone interact. energy: 2.460
local terms energy: -198.961040
where:
bonds (distance) C4'-P energy: -40.018
bonds (distance) P-C4' energy: -36.868
flat angles C4'-P-C4' energy: -41.201
flat angles P-C4'-P energy: -28.528
tors. eta vs tors. theta energy: -52.346
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: 5, replica: 1
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -551.953544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.953544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.953544 (E_RNA)
where:
Base-Base interactions energy: -360.783
where: short stacking energy: -162.616
Base-Backbone interact. energy: 0.247
local terms energy: -191.417171
where:
bonds (distance) C4'-P energy: -34.798
bonds (distance) P-C4' energy: -38.681
flat angles C4'-P-C4' energy: -43.402
flat angles P-C4'-P energy: -25.712
tors. eta vs tors. theta energy: -48.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -538.030744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.030744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.030744 (E_RNA)
where:
Base-Base interactions energy: -361.372
where: short stacking energy: -180.741
Base-Backbone interact. energy: -0.125
local terms energy: -176.534004
where:
bonds (distance) C4'-P energy: -28.069
bonds (distance) P-C4' energy: -33.542
flat angles C4'-P-C4' energy: -37.143
flat angles P-C4'-P energy: -22.888
tors. eta vs tors. theta energy: -54.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -531.171374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.171374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.171374 (E_RNA)
where:
Base-Base interactions energy: -346.850
where: short stacking energy: -170.290
Base-Backbone interact. energy: -0.435
local terms energy: -183.886206
where:
bonds (distance) C4'-P energy: -33.868
bonds (distance) P-C4' energy: -30.422
flat angles C4'-P-C4' energy: -39.206
flat angles P-C4'-P energy: -31.699
tors. eta vs tors. theta energy: -48.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -197.575206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.575206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.575206 (E_RNA)
where:
Base-Base interactions energy: -66.786
where: short stacking energy: -50.368
Base-Backbone interact. energy: -0.261
local terms energy: -130.528054
where:
bonds (distance) C4'-P energy: -33.050
bonds (distance) P-C4' energy: -38.655
flat angles C4'-P-C4' energy: -41.808
flat angles P-C4'-P energy: -19.760
tors. eta vs tors. theta energy: 2.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -200.683228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.683228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.683228 (E_RNA)
where:
Base-Base interactions energy: -72.529
where: short stacking energy: -48.508
Base-Backbone interact. energy: -1.468
local terms energy: -126.686881
where:
bonds (distance) C4'-P energy: -37.560
bonds (distance) P-C4' energy: -36.244
flat angles C4'-P-C4' energy: -32.738
flat angles P-C4'-P energy: -15.073
tors. eta vs tors. theta energy: -5.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -166.656388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.656388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.656388 (E_RNA)
where:
Base-Base interactions energy: -53.943
where: short stacking energy: -48.686
Base-Backbone interact. energy: 4.218
local terms energy: -116.930979
where:
bonds (distance) C4'-P energy: -27.249
bonds (distance) P-C4' energy: -41.789
flat angles C4'-P-C4' energy: -30.787
flat angles P-C4'-P energy: -23.515
tors. eta vs tors. theta energy: 6.408
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: 1, replica: 2
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -648.411652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.411652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.411652 (E_RNA)
where:
Base-Base interactions energy: -440.896
where: short stacking energy: -187.471
Base-Backbone interact. energy: -1.239
local terms energy: -206.276551
where:
bonds (distance) C4'-P energy: -37.720
bonds (distance) P-C4' energy: -32.879
flat angles C4'-P-C4' energy: -45.484
flat angles P-C4'-P energy: -31.066
tors. eta vs tors. theta energy: -59.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -649.948958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.948958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.948958 (E_RNA)
where:
Base-Base interactions energy: -441.965
where: short stacking energy: -198.417
Base-Backbone interact. energy: -0.950
local terms energy: -207.033219
where:
bonds (distance) C4'-P energy: -37.855
bonds (distance) P-C4' energy: -36.764
flat angles C4'-P-C4' energy: -36.885
flat angles P-C4'-P energy: -33.418
tors. eta vs tors. theta energy: -62.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -609.528661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.528661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.528661 (E_RNA)
where:
Base-Base interactions energy: -405.546
where: short stacking energy: -194.130
Base-Backbone interact. energy: -0.225
local terms energy: -203.757778
where:
bonds (distance) C4'-P energy: -36.244
bonds (distance) P-C4' energy: -37.355
flat angles C4'-P-C4' energy: -41.207
flat angles P-C4'-P energy: -31.777
tors. eta vs tors. theta energy: -57.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -568.515234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.515234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.515234 (E_RNA)
where:
Base-Base interactions energy: -357.484
where: short stacking energy: -180.560
Base-Backbone interact. energy: -0.573
local terms energy: -210.457626
where:
bonds (distance) C4'-P energy: -38.562
bonds (distance) P-C4' energy: -45.152
flat angles C4'-P-C4' energy: -39.166
flat angles P-C4'-P energy: -29.196
tors. eta vs tors. theta energy: -58.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -567.517163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.517163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.517163 (E_RNA)
where:
Base-Base interactions energy: -376.936
where: short stacking energy: -157.493
Base-Backbone interact. energy: -0.621
local terms energy: -189.960170
where:
bonds (distance) C4'-P energy: -29.062
bonds (distance) P-C4' energy: -35.156
flat angles C4'-P-C4' energy: -47.195
flat angles P-C4'-P energy: -27.559
tors. eta vs tors. theta energy: -50.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -556.127803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.127803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.127803 (E_RNA)
where:
Base-Base interactions energy: -365.650
where: short stacking energy: -189.949
Base-Backbone interact. energy: 2.002
local terms energy: -192.480463
where:
bonds (distance) C4'-P energy: -23.799
bonds (distance) P-C4' energy: -39.069
flat angles C4'-P-C4' energy: -40.855
flat angles P-C4'-P energy: -29.989
tors. eta vs tors. theta energy: -58.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -514.829720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.829720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.829720 (E_RNA)
where:
Base-Base interactions energy: -334.817
where: short stacking energy: -150.557
Base-Backbone interact. energy: -0.097
local terms energy: -179.915608
where:
bonds (distance) C4'-P energy: -37.621
bonds (distance) P-C4' energy: -36.001
flat angles C4'-P-C4' energy: -37.750
flat angles P-C4'-P energy: -25.760
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: 8, replica: 3
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -203.750499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.750499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.750499 (E_RNA)
where:
Base-Base interactions energy: -74.365
where: short stacking energy: -68.600
Base-Backbone interact. energy: 0.126
local terms energy: -129.511870
where:
bonds (distance) C4'-P energy: -32.925
bonds (distance) P-C4' energy: -33.764
flat angles C4'-P-C4' energy: -41.556
flat angles P-C4'-P energy: -18.400
tors. eta vs tors. theta energy: -2.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -190.848607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.848607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.848607 (E_RNA)
where:
Base-Base interactions energy: -72.826
where: short stacking energy: -45.953
Base-Backbone interact. energy: 0.624
local terms energy: -118.647289
where:
bonds (distance) C4'-P energy: -30.503
bonds (distance) P-C4' energy: -35.941
flat angles C4'-P-C4' energy: -29.180
flat angles P-C4'-P energy: -21.124
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: 10, replica: 5
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -174.638553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.638553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.638553 (E_RNA)
where:
Base-Base interactions energy: -70.221
where: short stacking energy: -53.866
Base-Backbone interact. energy: 2.964
local terms energy: -107.381762
where:
bonds (distance) C4'-P energy: -30.935
bonds (distance) P-C4' energy: -32.104
flat angles C4'-P-C4' energy: -22.609
flat angles P-C4'-P energy: -25.904
tors. eta vs tors. theta energy: 4.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -656.637645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.637645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.637645 (E_RNA)
where:
Base-Base interactions energy: -443.616
where: short stacking energy: -191.154
Base-Backbone interact. energy: -0.385
local terms energy: -212.636629
where:
bonds (distance) C4'-P energy: -42.729
bonds (distance) P-C4' energy: -35.015
flat angles C4'-P-C4' energy: -45.607
flat angles P-C4'-P energy: -30.867
tors. eta vs tors. theta energy: -58.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -652.380459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.380459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.380459 (E_RNA)
where:
Base-Base interactions energy: -422.716
where: short stacking energy: -192.782
Base-Backbone interact. energy: -0.328
local terms energy: -229.336611
where:
bonds (distance) C4'-P energy: -40.277
bonds (distance) P-C4' energy: -38.929
flat angles C4'-P-C4' energy: -50.772
flat angles P-C4'-P energy: -35.295
tors. eta vs tors. theta energy: -64.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -624.867468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.867468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.867468 (E_RNA)
where:
Base-Base interactions energy: -412.515
where: short stacking energy: -198.990
Base-Backbone interact. energy: -0.105
local terms energy: -212.247849
where:
bonds (distance) C4'-P energy: -40.223
bonds (distance) P-C4' energy: -43.000
flat angles C4'-P-C4' energy: -45.712
flat angles P-C4'-P energy: -27.108
tors. eta vs tors. theta energy: -56.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -582.537523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.537523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.537523 (E_RNA)
where:
Base-Base interactions energy: -387.805
where: short stacking energy: -166.737
Base-Backbone interact. energy: -1.169
local terms energy: -193.562790
where:
bonds (distance) C4'-P energy: -41.056
bonds (distance) P-C4' energy: -35.420
flat angles C4'-P-C4' energy: -37.392
flat angles P-C4'-P energy: -29.388
tors. eta vs tors. theta energy: -50.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -567.220952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.220952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.220952 (E_RNA)
where:
Base-Base interactions energy: -372.322
where: short stacking energy: -174.372
Base-Backbone interact. energy: -0.212
local terms energy: -194.686877
where:
bonds (distance) C4'-P energy: -36.813
bonds (distance) P-C4' energy: -29.665
flat angles C4'-P-C4' energy: -44.806
flat angles P-C4'-P energy: -25.497
tors. eta vs tors. theta energy: -57.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -530.974285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.974285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.974285 (E_RNA)
where:
Base-Base interactions energy: -345.325
where: short stacking energy: -167.457
Base-Backbone interact. energy: 5.025
local terms energy: -190.674199
where:
bonds (distance) C4'-P energy: -38.104
bonds (distance) P-C4' energy: -38.810
flat angles C4'-P-C4' energy: -42.324
flat angles P-C4'-P energy: -28.866
tors. eta vs tors. theta energy: -42.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -479.112918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.112918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.112918 (E_RNA)
where:
Base-Base interactions energy: -314.831
where: short stacking energy: -149.317
Base-Backbone interact. energy: -0.365
local terms energy: -163.917221
where:
bonds (distance) C4'-P energy: -29.439
bonds (distance) P-C4' energy: -33.873
flat angles C4'-P-C4' energy: -38.034
flat angles P-C4'-P energy: -20.201
tors. eta vs tors. theta energy: -42.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -206.022630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.022630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.022630 (E_RNA)
where:
Base-Base interactions energy: -73.446
where: short stacking energy: -64.069
Base-Backbone interact. energy: 0.876
local terms energy: -133.452700
where:
bonds (distance) C4'-P energy: -36.847
bonds (distance) P-C4' energy: -43.176
flat angles C4'-P-C4' energy: -43.677
flat angles P-C4'-P energy: -5.088
tors. eta vs tors. theta energy: -4.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -186.151095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.151095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.151095 (E_RNA)
where:
Base-Base interactions energy: -76.857
where: short stacking energy: -59.331
Base-Backbone interact. energy: 2.056
local terms energy: -111.349559
where:
bonds (distance) C4'-P energy: -39.669
bonds (distance) P-C4' energy: -34.859
flat angles C4'-P-C4' energy: -34.060
flat angles P-C4'-P energy: 4.956
tors. eta vs tors. theta energy: -7.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -179.513696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.513696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.513696 (E_RNA)
where:
Base-Base interactions energy: -60.227
where: short stacking energy: -40.558
Base-Backbone interact. energy: -0.500
local terms energy: -118.786992
where:
bonds (distance) C4'-P energy: -40.724
bonds (distance) P-C4' energy: -34.905
flat angles C4'-P-C4' energy: -32.954
flat angles P-C4'-P energy: -16.537
tors. eta vs tors. theta energy: 6.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -676.149404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.149404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.149404 (E_RNA)
where:
Base-Base interactions energy: -454.328
where: short stacking energy: -201.429
Base-Backbone interact. energy: -1.974
local terms energy: -219.848057
where:
bonds (distance) C4'-P energy: -39.552
bonds (distance) P-C4' energy: -40.444
flat angles C4'-P-C4' energy: -39.948
flat angles P-C4'-P energy: -35.309
tors. eta vs tors. theta energy: -64.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -648.401714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.401714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.401714 (E_RNA)
where:
Base-Base interactions energy: -437.495
where: short stacking energy: -199.512
Base-Backbone interact. energy: -0.064
local terms energy: -210.842000
where:
bonds (distance) C4'-P energy: -34.234
bonds (distance) P-C4' energy: -44.253
flat angles C4'-P-C4' energy: -43.016
flat angles P-C4'-P energy: -29.626
tors. eta vs tors. theta energy: -59.713
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: 1
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -612.565319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.565319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.565319 (E_RNA)
where:
Base-Base interactions energy: -407.817
where: short stacking energy: -177.008
Base-Backbone interact. energy: -1.246
local terms energy: -203.502422
where:
bonds (distance) C4'-P energy: -35.272
bonds (distance) P-C4' energy: -41.643
flat angles C4'-P-C4' energy: -45.054
flat angles P-C4'-P energy: -31.259
tors. eta vs tors. theta energy: -50.275
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: 4, replica: 6
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -616.649800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.649800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.649800 (E_RNA)
where:
Base-Base interactions energy: -400.194
where: short stacking energy: -175.744
Base-Backbone interact. energy: -0.580
local terms energy: -215.875450
where:
bonds (distance) C4'-P energy: -45.249
bonds (distance) P-C4' energy: -40.105
flat angles C4'-P-C4' energy: -39.783
flat angles P-C4'-P energy: -33.519
tors. eta vs tors. theta energy: -57.220
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: 7
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -554.330436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.330436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.330436 (E_RNA)
where:
Base-Base interactions energy: -343.107
where: short stacking energy: -166.073
Base-Backbone interact. energy: -0.228
local terms energy: -210.994904
where:
bonds (distance) C4'-P energy: -38.911
bonds (distance) P-C4' energy: -43.314
flat angles C4'-P-C4' energy: -44.090
flat angles P-C4'-P energy: -31.025
tors. eta vs tors. theta energy: -53.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -519.046196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.046196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.046196 (E_RNA)
where:
Base-Base interactions energy: -344.992
where: short stacking energy: -167.891
Base-Backbone interact. energy: -0.116
local terms energy: -173.937407
where:
bonds (distance) C4'-P energy: -25.503
bonds (distance) P-C4' energy: -40.495
flat angles C4'-P-C4' energy: -35.756
flat angles P-C4'-P energy: -25.742
tors. eta vs tors. theta energy: -46.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -513.524824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.524824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.524824 (E_RNA)
where:
Base-Base interactions energy: -341.576
where: short stacking energy: -176.907
Base-Backbone interact. energy: -1.999
local terms energy: -169.949272
where:
bonds (distance) C4'-P energy: -24.453
bonds (distance) P-C4' energy: -27.764
flat angles C4'-P-C4' energy: -38.884
flat angles P-C4'-P energy: -24.066
tors. eta vs tors. theta energy: -54.782
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: 10
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -190.002110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.002110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.002110 (E_RNA)
where:
Base-Base interactions energy: -57.767
where: short stacking energy: -54.917
Base-Backbone interact. energy: -0.328
local terms energy: -131.907166
where:
bonds (distance) C4'-P energy: -34.678
bonds (distance) P-C4' energy: -35.937
flat angles C4'-P-C4' energy: -33.146
flat angles P-C4'-P energy: -28.169
tors. eta vs tors. theta energy: 0.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -182.149821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.149821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.149821 (E_RNA)
where:
Base-Base interactions energy: -69.706
where: short stacking energy: -55.299
Base-Backbone interact. energy: -0.641
local terms energy: -111.803296
where:
bonds (distance) C4'-P energy: -32.814
bonds (distance) P-C4' energy: -38.487
flat angles C4'-P-C4' energy: -34.543
flat angles P-C4'-P energy: -8.270
tors. eta vs tors. theta energy: 2.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -174.687786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.687786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.687786 (E_RNA)
where:
Base-Base interactions energy: -51.294
where: short stacking energy: -47.926
Base-Backbone interact. energy: 0.114
local terms energy: -123.507790
where:
bonds (distance) C4'-P energy: -30.811
bonds (distance) P-C4' energy: -36.932
flat angles C4'-P-C4' energy: -29.786
flat angles P-C4'-P energy: -22.350
tors. eta vs tors. theta energy: -3.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -683.375543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.375543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.375543 (E_RNA)
where:
Base-Base interactions energy: -455.871
where: short stacking energy: -213.080
Base-Backbone interact. energy: -0.391
local terms energy: -227.114053
where:
bonds (distance) C4'-P energy: -41.479
bonds (distance) P-C4' energy: -37.949
flat angles C4'-P-C4' energy: -43.152
flat angles P-C4'-P energy: -38.085
tors. eta vs tors. theta energy: -66.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -638.401355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.401355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.401355 (E_RNA)
where:
Base-Base interactions energy: -422.139
where: short stacking energy: -188.645
Base-Backbone interact. energy: -0.864
local terms energy: -215.397924
where:
bonds (distance) C4'-P energy: -46.445
bonds (distance) P-C4' energy: -37.830
flat angles C4'-P-C4' energy: -41.199
flat angles P-C4'-P energy: -28.238
tors. eta vs tors. theta energy: -61.686
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: 3, replica: 2
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -612.406951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.406951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.406951 (E_RNA)
where:
Base-Base interactions energy: -409.426
where: short stacking energy: -182.341
Base-Backbone interact. energy: 0.073
local terms energy: -203.054144
where:
bonds (distance) C4'-P energy: -33.446
bonds (distance) P-C4' energy: -40.183
flat angles C4'-P-C4' energy: -46.127
flat angles P-C4'-P energy: -26.798
tors. eta vs tors. theta energy: -56.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -606.438159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.438159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.438159 (E_RNA)
where:
Base-Base interactions energy: -407.835
where: short stacking energy: -181.657
Base-Backbone interact. energy: -0.211
local terms energy: -198.391602
where:
bonds (distance) C4'-P energy: -46.157
bonds (distance) P-C4' energy: -32.916
flat angles C4'-P-C4' energy: -38.408
flat angles P-C4'-P energy: -31.318
tors. eta vs tors. theta energy: -49.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -551.254741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.254741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.254741 (E_RNA)
where:
Base-Base interactions energy: -365.576
where: short stacking energy: -185.367
Base-Backbone interact. energy: -0.054
local terms energy: -185.624784
where:
bonds (distance) C4'-P energy: -33.257
bonds (distance) P-C4' energy: -38.926
flat angles C4'-P-C4' energy: -40.970
flat angles P-C4'-P energy: -21.819
tors. eta vs tors. theta energy: -50.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -513.983430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.983430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.983430 (E_RNA)
where:
Base-Base interactions energy: -329.586
where: short stacking energy: -146.222
Base-Backbone interact. energy: -0.460
local terms energy: -183.938052
where:
bonds (distance) C4'-P energy: -29.357
bonds (distance) P-C4' energy: -36.230
flat angles C4'-P-C4' energy: -37.800
flat angles P-C4'-P energy: -31.087
tors. eta vs tors. theta energy: -49.464
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: 327
Temperature: 1.200000
Total energy: -499.806212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.806212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.806212 (E_RNA)
where:
Base-Base interactions energy: -332.603
where: short stacking energy: -172.932
Base-Backbone interact. energy: -0.972
local terms energy: -166.232018
where:
bonds (distance) C4'-P energy: -22.756
bonds (distance) P-C4' energy: -38.510
flat angles C4'-P-C4' energy: -40.901
flat angles P-C4'-P energy: -15.112
tors. eta vs tors. theta energy: -48.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -223.736940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.736940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.736940 (E_RNA)
where:
Base-Base interactions energy: -98.046
where: short stacking energy: -60.951
Base-Backbone interact. energy: -0.487
local terms energy: -125.203663
where:
bonds (distance) C4'-P energy: -28.464
bonds (distance) P-C4' energy: -30.934
flat angles C4'-P-C4' energy: -34.137
flat angles P-C4'-P energy: -21.934
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: 9, replica: 10
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -183.285187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.285187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.285187 (E_RNA)
where:
Base-Base interactions energy: -61.009
where: short stacking energy: -55.546
Base-Backbone interact. energy: -0.201
local terms energy: -122.075642
where:
bonds (distance) C4'-P energy: -30.365
bonds (distance) P-C4' energy: -34.003
flat angles C4'-P-C4' energy: -26.449
flat angles P-C4'-P energy: -28.474
tors. eta vs tors. theta energy: -2.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -163.665579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.665579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.665579 (E_RNA)
where:
Base-Base interactions energy: -47.006
where: short stacking energy: -44.720
Base-Backbone interact. energy: -1.453
local terms energy: -115.206651
where:
bonds (distance) C4'-P energy: -35.405
bonds (distance) P-C4' energy: -38.170
flat angles C4'-P-C4' energy: -27.598
flat angles P-C4'-P energy: -19.836
tors. eta vs tors. theta energy: 5.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -669.192987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.192987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.192987 (E_RNA)
where:
Base-Base interactions energy: -443.950
where: short stacking energy: -204.698
Base-Backbone interact. energy: 0.259
local terms energy: -225.501607
where:
bonds (distance) C4'-P energy: -42.688
bonds (distance) P-C4' energy: -39.783
flat angles C4'-P-C4' energy: -45.212
flat angles P-C4'-P energy: -32.467
tors. eta vs tors. theta energy: -65.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -647.385035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.385035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.385035 (E_RNA)
where:
Base-Base interactions energy: -430.069
where: short stacking energy: -195.541
Base-Backbone interact. energy: 1.082
local terms energy: -218.397229
where:
bonds (distance) C4'-P energy: -35.977
bonds (distance) P-C4' energy: -44.814
flat angles C4'-P-C4' energy: -46.811
flat angles P-C4'-P energy: -25.730
tors. eta vs tors. theta energy: -65.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -623.877762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.877762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.877762 (E_RNA)
where:
Base-Base interactions energy: -405.648
where: short stacking energy: -181.799
Base-Backbone interact. energy: -0.034
local terms energy: -218.195514
where:
bonds (distance) C4'-P energy: -43.791
bonds (distance) P-C4' energy: -40.125
flat angles C4'-P-C4' energy: -44.124
flat angles P-C4'-P energy: -26.038
tors. eta vs tors. theta energy: -64.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -603.030049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.030049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.030049 (E_RNA)
where:
Base-Base interactions energy: -407.307
where: short stacking energy: -175.433
Base-Backbone interact. energy: -1.133
local terms energy: -194.590348
where:
bonds (distance) C4'-P energy: -37.656
bonds (distance) P-C4' energy: -36.862
flat angles C4'-P-C4' energy: -42.735
flat angles P-C4'-P energy: -24.617
tors. eta vs tors. theta energy: -52.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -550.499508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.499508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.499508 (E_RNA)
where:
Base-Base interactions energy: -357.233
where: short stacking energy: -182.692
Base-Backbone interact. energy: -0.417
local terms energy: -192.849536
where:
bonds (distance) C4'-P energy: -29.899
bonds (distance) P-C4' energy: -28.381
flat angles C4'-P-C4' energy: -45.030
flat angles P-C4'-P energy: -35.565
tors. eta vs tors. theta energy: -53.975
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: 9
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -505.087216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.087216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.087216 (E_RNA)
where:
Base-Base interactions energy: -315.629
where: short stacking energy: -161.981
Base-Backbone interact. energy: -0.441
local terms energy: -189.016673
where:
bonds (distance) C4'-P energy: -34.090
bonds (distance) P-C4' energy: -41.111
flat angles C4'-P-C4' energy: -38.579
flat angles P-C4'-P energy: -28.954
tors. eta vs tors. theta energy: -46.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -532.001687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.001687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.001687 (E_RNA)
where:
Base-Base interactions energy: -343.082
where: short stacking energy: -154.648
Base-Backbone interact. energy: -1.391
local terms energy: -187.528169
where:
bonds (distance) C4'-P energy: -31.522
bonds (distance) P-C4' energy: -34.341
flat angles C4'-P-C4' energy: -38.102
flat angles P-C4'-P energy: -29.306
tors. eta vs tors. theta energy: -54.256
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: 8, replica: 3
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -251.172835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.172835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.172835 (E_RNA)
where:
Base-Base interactions energy: -143.012
where: short stacking energy: -92.676
Base-Backbone interact. energy: -0.541
local terms energy: -107.620417
where:
bonds (distance) C4'-P energy: -21.180
bonds (distance) P-C4' energy: -40.927
flat angles C4'-P-C4' energy: -19.314
flat angles P-C4'-P energy: -16.440
tors. eta vs tors. theta energy: -9.759
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: 328
Temperature: 1.300000
Total energy: -174.439956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.439956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.439956 (E_RNA)
where:
Base-Base interactions energy: -71.000
where: short stacking energy: -49.612
Base-Backbone interact. energy: -1.046
local terms energy: -102.394264
where:
bonds (distance) C4'-P energy: -25.294
bonds (distance) P-C4' energy: -25.276
flat angles C4'-P-C4' energy: -34.773
flat angles P-C4'-P energy: -13.031
tors. eta vs tors. theta energy: -4.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -179.144243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.144243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.144243 (E_RNA)
where:
Base-Base interactions energy: -72.125
where: short stacking energy: -47.593
Base-Backbone interact. energy: 0.653
local terms energy: -107.672173
where:
bonds (distance) C4'-P energy: -38.700
bonds (distance) P-C4' energy: -32.238
flat angles C4'-P-C4' energy: -27.884
flat angles P-C4'-P energy: -12.585
tors. eta vs tors. theta energy: 3.735
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: 1, replica: 1
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -667.266697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.266697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.266697 (E_RNA)
where:
Base-Base interactions energy: -447.115
where: short stacking energy: -203.373
Base-Backbone interact. energy: -1.075
local terms energy: -219.077405
where:
bonds (distance) C4'-P energy: -41.124
bonds (distance) P-C4' energy: -44.037
flat angles C4'-P-C4' energy: -42.890
flat angles P-C4'-P energy: -32.664
tors. eta vs tors. theta energy: -58.362
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: 4
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -653.883078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.883078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.883078 (E_RNA)
where:
Base-Base interactions energy: -436.977
where: short stacking energy: -204.128
Base-Backbone interact. energy: -0.475
local terms energy: -216.431960
where:
bonds (distance) C4'-P energy: -42.608
bonds (distance) P-C4' energy: -40.300
flat angles C4'-P-C4' energy: -47.103
flat angles P-C4'-P energy: -22.861
tors. eta vs tors. theta energy: -63.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -643.050036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.050036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.050036 (E_RNA)
where:
Base-Base interactions energy: -425.452
where: short stacking energy: -198.643
Base-Backbone interact. energy: -0.110
local terms energy: -217.488617
where:
bonds (distance) C4'-P energy: -33.975
bonds (distance) P-C4' energy: -36.915
flat angles C4'-P-C4' energy: -49.305
flat angles P-C4'-P energy: -27.980
tors. eta vs tors. theta energy: -69.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -604.613886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.613886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.613886 (E_RNA)
where:
Base-Base interactions energy: -400.106
where: short stacking energy: -178.898
Base-Backbone interact. energy: -0.185
local terms energy: -204.322458
where:
bonds (distance) C4'-P energy: -28.347
bonds (distance) P-C4' energy: -41.803
flat angles C4'-P-C4' energy: -46.419
flat angles P-C4'-P energy: -30.045
tors. eta vs tors. theta energy: -57.709
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: 7
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -558.933322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.933322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.933322 (E_RNA)
where:
Base-Base interactions energy: -369.967
where: short stacking energy: -163.676
Base-Backbone interact. energy: -0.266
local terms energy: -188.700127
where:
bonds (distance) C4'-P energy: -37.368
bonds (distance) P-C4' energy: -35.976
flat angles C4'-P-C4' energy: -32.380
flat angles P-C4'-P energy: -31.621
tors. eta vs tors. theta energy: -51.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -538.116810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.116810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.116810 (E_RNA)
where:
Base-Base interactions energy: -346.095
where: short stacking energy: -164.679
Base-Backbone interact. energy: -0.922
local terms energy: -191.099734
where:
bonds (distance) C4'-P energy: -36.258
bonds (distance) P-C4' energy: -39.562
flat angles C4'-P-C4' energy: -40.030
flat angles P-C4'-P energy: -23.058
tors. eta vs tors. theta energy: -52.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -524.488821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.488821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.488821 (E_RNA)
where:
Base-Base interactions energy: -343.811
where: short stacking energy: -154.361
Base-Backbone interact. energy: 0.245
local terms energy: -180.922431
where:
bonds (distance) C4'-P energy: -28.750
bonds (distance) P-C4' energy: -38.263
flat angles C4'-P-C4' energy: -39.037
flat angles P-C4'-P energy: -28.817
tors. eta vs tors. theta energy: -46.055
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: 8, replica: 3
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -252.610827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.610827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.610827 (E_RNA)
where:
Base-Base interactions energy: -105.979
where: short stacking energy: -70.944
Base-Backbone interact. energy: 1.601
local terms energy: -148.232886
where:
bonds (distance) C4'-P energy: -42.000
bonds (distance) P-C4' energy: -45.296
flat angles C4'-P-C4' energy: -19.937
flat angles P-C4'-P energy: -25.699
tors. eta vs tors. theta energy: -15.301
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: 5
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -180.211826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.211826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.211826 (E_RNA)
where:
Base-Base interactions energy: -73.622
where: short stacking energy: -49.565
Base-Backbone interact. energy: 0.579
local terms energy: -107.169074
where:
bonds (distance) C4'-P energy: -28.298
bonds (distance) P-C4' energy: -31.989
flat angles C4'-P-C4' energy: -19.591
flat angles P-C4'-P energy: -30.372
tors. eta vs tors. theta energy: 3.081
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: 10
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -183.491108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.491108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.491108 (E_RNA)
where:
Base-Base interactions energy: -73.055
where: short stacking energy: -50.190
Base-Backbone interact. energy: 1.175
local terms energy: -111.611244
where:
bonds (distance) C4'-P energy: -29.609
bonds (distance) P-C4' energy: -39.411
flat angles C4'-P-C4' energy: -28.931
flat angles P-C4'-P energy: -14.887
tors. eta vs tors. theta energy: 1.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -662.363346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.363346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.363346 (E_RNA)
where:
Base-Base interactions energy: -442.950
where: short stacking energy: -202.901
Base-Backbone interact. energy: -0.371
local terms energy: -219.042271
where:
bonds (distance) C4'-P energy: -38.452
bonds (distance) P-C4' energy: -42.717
flat angles C4'-P-C4' energy: -47.237
flat angles P-C4'-P energy: -30.480
tors. eta vs tors. theta energy: -60.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -638.774210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.774210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.774210 (E_RNA)
where:
Base-Base interactions energy: -423.008
where: short stacking energy: -198.799
Base-Backbone interact. energy: 0.105
local terms energy: -215.871197
where:
bonds (distance) C4'-P energy: -39.919
bonds (distance) P-C4' energy: -45.090
flat angles C4'-P-C4' energy: -42.822
flat angles P-C4'-P energy: -26.708
tors. eta vs tors. theta energy: -61.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -643.202500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.202500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.202500 (E_RNA)
where:
Base-Base interactions energy: -423.965
where: short stacking energy: -195.074
Base-Backbone interact. energy: 1.182
local terms energy: -220.419597
where:
bonds (distance) C4'-P energy: -43.119
bonds (distance) P-C4' energy: -46.948
flat angles C4'-P-C4' energy: -41.080
flat angles P-C4'-P energy: -25.808
tors. eta vs tors. theta energy: -63.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -588.700238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.700238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.700238 (E_RNA)
where:
Base-Base interactions energy: -388.037
where: short stacking energy: -193.204
Base-Backbone interact. energy: -0.325
local terms energy: -200.338725
where:
bonds (distance) C4'-P energy: -38.307
bonds (distance) P-C4' energy: -31.855
flat angles C4'-P-C4' energy: -42.626
flat angles P-C4'-P energy: -29.542
tors. eta vs tors. theta energy: -58.009
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: 9
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -568.188238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.188238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.188238 (E_RNA)
where:
Base-Base interactions energy: -372.009
where: short stacking energy: -165.877
Base-Backbone interact. energy: -1.093
local terms energy: -195.086512
where:
bonds (distance) C4'-P energy: -37.536
bonds (distance) P-C4' energy: -41.336
flat angles C4'-P-C4' energy: -40.529
flat angles P-C4'-P energy: -29.396
tors. eta vs tors. theta energy: -46.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -563.875188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.875188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.875188 (E_RNA)
where:
Base-Base interactions energy: -361.063
where: short stacking energy: -176.941
Base-Backbone interact. energy: -0.055
local terms energy: -202.756623
where:
bonds (distance) C4'-P energy: -29.572
bonds (distance) P-C4' energy: -40.524
flat angles C4'-P-C4' energy: -46.992
flat angles P-C4'-P energy: -24.583
tors. eta vs tors. theta energy: -61.086
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: 7, replica: 8
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -501.529123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.529123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.529123 (E_RNA)
where:
Base-Base interactions energy: -323.655
where: short stacking energy: -162.033
Base-Backbone interact. energy: -0.084
local terms energy: -177.790255
where:
bonds (distance) C4'-P energy: -34.970
bonds (distance) P-C4' energy: -26.429
flat angles C4'-P-C4' energy: -38.016
flat angles P-C4'-P energy: -25.014
tors. eta vs tors. theta energy: -53.362
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: 8, replica: 3
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -249.694900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.694900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.694900 (E_RNA)
where:
Base-Base interactions energy: -111.218
where: short stacking energy: -67.792
Base-Backbone interact. energy: 0.508
local terms energy: -138.984911
where:
bonds (distance) C4'-P energy: -38.749
bonds (distance) P-C4' energy: -43.081
flat angles C4'-P-C4' energy: -27.281
flat angles P-C4'-P energy: -30.776
tors. eta vs tors. theta energy: 0.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -178.217097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.217097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.217097 (E_RNA)
where:
Base-Base interactions energy: -70.913
where: short stacking energy: -60.492
Base-Backbone interact. energy: 0.238
local terms energy: -107.542801
where:
bonds (distance) C4'-P energy: -28.085
bonds (distance) P-C4' energy: -31.964
flat angles C4'-P-C4' energy: -35.836
flat angles P-C4'-P energy: -16.625
tors. eta vs tors. theta energy: 4.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -167.844623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.844623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.844623 (E_RNA)
where:
Base-Base interactions energy: -51.865
where: short stacking energy: -42.520
Base-Backbone interact. energy: -0.361
local terms energy: -115.618486
where:
bonds (distance) C4'-P energy: -31.662
bonds (distance) P-C4' energy: -33.502
flat angles C4'-P-C4' energy: -36.325
flat angles P-C4'-P energy: -24.972
tors. eta vs tors. theta energy: 10.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -661.294934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.294934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.294934 (E_RNA)
where:
Base-Base interactions energy: -436.924
where: short stacking energy: -197.825
Base-Backbone interact. energy: -0.756
local terms energy: -223.614297
where:
bonds (distance) C4'-P energy: -37.243
bonds (distance) P-C4' energy: -45.698
flat angles C4'-P-C4' energy: -43.537
flat angles P-C4'-P energy: -32.562
tors. eta vs tors. theta energy: -64.575
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: 1
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -635.972772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.972772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.972772 (E_RNA)
where:
Base-Base interactions energy: -433.632
where: short stacking energy: -190.741
Base-Backbone interact. energy: 3.176
local terms energy: -205.516717
where:
bonds (distance) C4'-P energy: -40.778
bonds (distance) P-C4' energy: -36.410
flat angles C4'-P-C4' energy: -43.392
flat angles P-C4'-P energy: -24.539
tors. eta vs tors. theta energy: -60.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -619.607460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.607460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.607460 (E_RNA)
where:
Base-Base interactions energy: -409.493
where: short stacking energy: -187.041
Base-Backbone interact. energy: -1.145
local terms energy: -208.969963
where:
bonds (distance) C4'-P energy: -36.878
bonds (distance) P-C4' energy: -37.172
flat angles C4'-P-C4' energy: -47.200
flat angles P-C4'-P energy: -26.784
tors. eta vs tors. theta energy: -60.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -573.517495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.517495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.517495 (E_RNA)
where:
Base-Base interactions energy: -383.640
where: short stacking energy: -177.135
Base-Backbone interact. energy: 1.421
local terms energy: -191.298315
where:
bonds (distance) C4'-P energy: -39.416
bonds (distance) P-C4' energy: -37.010
flat angles C4'-P-C4' energy: -38.389
flat angles P-C4'-P energy: -26.990
tors. eta vs tors. theta energy: -49.493
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: 6
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -573.827701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.827701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.827701 (E_RNA)
where:
Base-Base interactions energy: -384.886
where: short stacking energy: -169.778
Base-Backbone interact. energy: -0.257
local terms energy: -188.684525
where:
bonds (distance) C4'-P energy: -31.777
bonds (distance) P-C4' energy: -33.396
flat angles C4'-P-C4' energy: -44.646
flat angles P-C4'-P energy: -24.732
tors. eta vs tors. theta energy: -54.134
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: 331
Temperature: 1.150000
Total energy: -543.606364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.606364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.606364 (E_RNA)
where:
Base-Base interactions energy: -351.757
where: short stacking energy: -172.742
Base-Backbone interact. energy: -0.110
local terms energy: -191.739372
where:
bonds (distance) C4'-P energy: -33.212
bonds (distance) P-C4' energy: -34.005
flat angles C4'-P-C4' energy: -40.472
flat angles P-C4'-P energy: -28.904
tors. eta vs tors. theta energy: -55.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -538.302123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.302123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.302123 (E_RNA)
where:
Base-Base interactions energy: -351.992
where: short stacking energy: -167.453
Base-Backbone interact. energy: -1.068
local terms energy: -185.242630
where:
bonds (distance) C4'-P energy: -37.946
bonds (distance) P-C4' energy: -28.816
flat angles C4'-P-C4' energy: -40.272
flat angles P-C4'-P energy: -26.291
tors. eta vs tors. theta energy: -51.919
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: 3
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -210.718682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.718682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.718682 (E_RNA)
where:
Base-Base interactions energy: -89.533
where: short stacking energy: -58.258
Base-Backbone interact. energy: -1.171
local terms energy: -120.015038
where:
bonds (distance) C4'-P energy: -28.801
bonds (distance) P-C4' energy: -31.583
flat angles C4'-P-C4' energy: -28.259
flat angles P-C4'-P energy: -21.306
tors. eta vs tors. theta energy: -10.065
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: 10
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -187.701392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.701392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.701392 (E_RNA)
where:
Base-Base interactions energy: -63.807
where: short stacking energy: -51.244
Base-Backbone interact. energy: -0.656
local terms energy: -123.238649
where:
bonds (distance) C4'-P energy: -27.662
bonds (distance) P-C4' energy: -28.952
flat angles C4'-P-C4' energy: -30.858
flat angles P-C4'-P energy: -28.265
tors. eta vs tors. theta energy: -7.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -177.133030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.133030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.133030 (E_RNA)
where:
Base-Base interactions energy: -72.493
where: short stacking energy: -52.704
Base-Backbone interact. energy: 1.413
local terms energy: -106.053135
where:
bonds (distance) C4'-P energy: -32.399
bonds (distance) P-C4' energy: -24.974
flat angles C4'-P-C4' energy: -30.797
flat angles P-C4'-P energy: -20.008
tors. eta vs tors. theta energy: 2.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -672.349947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.349947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.349947 (E_RNA)
where:
Base-Base interactions energy: -463.638
where: short stacking energy: -210.841
Base-Backbone interact. energy: -0.188
local terms energy: -208.524034
where:
bonds (distance) C4'-P energy: -37.097
bonds (distance) P-C4' energy: -34.399
flat angles C4'-P-C4' energy: -38.965
flat angles P-C4'-P energy: -31.002
tors. eta vs tors. theta energy: -67.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -621.001059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.001059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.001059 (E_RNA)
where:
Base-Base interactions energy: -418.457
where: short stacking energy: -187.152
Base-Backbone interact. energy: 0.866
local terms energy: -203.410359
where:
bonds (distance) C4'-P energy: -36.957
bonds (distance) P-C4' energy: -42.480
flat angles C4'-P-C4' energy: -39.434
flat angles P-C4'-P energy: -27.509
tors. eta vs tors. theta energy: -57.030
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: 2
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -620.659684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.659684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.659684 (E_RNA)
where:
Base-Base interactions energy: -412.178
where: short stacking energy: -193.085
Base-Backbone interact. energy: -0.495
local terms energy: -207.987028
where:
bonds (distance) C4'-P energy: -34.288
bonds (distance) P-C4' energy: -41.261
flat angles C4'-P-C4' energy: -44.330
flat angles P-C4'-P energy: -31.247
tors. eta vs tors. theta energy: -56.861
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: 9
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -570.040424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.040424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.040424 (E_RNA)
where:
Base-Base interactions energy: -372.206
where: short stacking energy: -169.343
Base-Backbone interact. energy: 1.506
local terms energy: -199.339983
where:
bonds (distance) C4'-P energy: -38.676
bonds (distance) P-C4' energy: -41.997
flat angles C4'-P-C4' energy: -40.187
flat angles P-C4'-P energy: -21.552
tors. eta vs tors. theta energy: -56.929
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: 7
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -571.182071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.182071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.182071 (E_RNA)
where:
Base-Base interactions energy: -363.039
where: short stacking energy: -175.819
Base-Backbone interact. energy: -0.440
local terms energy: -207.703127
where:
bonds (distance) C4'-P energy: -37.177
bonds (distance) P-C4' energy: -35.373
flat angles C4'-P-C4' energy: -44.380
flat angles P-C4'-P energy: -28.744
tors. eta vs tors. theta energy: -62.029
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: 6
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -568.264694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.264694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.264694 (E_RNA)
where:
Base-Base interactions energy: -387.405
where: short stacking energy: -171.116
Base-Backbone interact. energy: -0.685
local terms energy: -180.175213
where:
bonds (distance) C4'-P energy: -32.420
bonds (distance) P-C4' energy: -38.758
flat angles C4'-P-C4' energy: -28.824
flat angles P-C4'-P energy: -21.817
tors. eta vs tors. theta energy: -58.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -532.913925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.913925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.913925 (E_RNA)
where:
Base-Base interactions energy: -348.686
where: short stacking energy: -164.804
Base-Backbone interact. energy: -0.877
local terms energy: -183.350668
where:
bonds (distance) C4'-P energy: -42.755
bonds (distance) P-C4' energy: -34.545
flat angles C4'-P-C4' energy: -36.322
flat angles P-C4'-P energy: -25.211
tors. eta vs tors. theta energy: -44.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -198.902074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.902074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.902074 (E_RNA)
where:
Base-Base interactions energy: -77.605
where: short stacking energy: -51.803
Base-Backbone interact. energy: -0.870
local terms energy: -120.426974
where:
bonds (distance) C4'-P energy: -27.639
bonds (distance) P-C4' energy: -44.420
flat angles C4'-P-C4' energy: -21.778
flat angles P-C4'-P energy: -31.184
tors. eta vs tors. theta energy: 4.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -184.741022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.741022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.741022 (E_RNA)
where:
Base-Base interactions energy: -72.898
where: short stacking energy: -48.975
Base-Backbone interact. energy: -0.923
local terms energy: -110.919225
where:
bonds (distance) C4'-P energy: -33.240
bonds (distance) P-C4' energy: -38.149
flat angles C4'-P-C4' energy: -27.656
flat angles P-C4'-P energy: -21.594
tors. eta vs tors. theta energy: 9.720
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: 332
Temperature: 1.350000
Total energy: -177.028027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.028027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.028027 (E_RNA)
where:
Base-Base interactions energy: -53.400
where: short stacking energy: -44.711
Base-Backbone interact. energy: -0.803
local terms energy: -122.825272
where:
bonds (distance) C4'-P energy: -29.201
bonds (distance) P-C4' energy: -39.454
flat angles C4'-P-C4' energy: -22.069
flat angles P-C4'-P energy: -25.676
tors. eta vs tors. theta energy: -6.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -667.704931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.704931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.704931 (E_RNA)
where:
Base-Base interactions energy: -448.893
where: short stacking energy: -205.271
Base-Backbone interact. energy: -0.278
local terms energy: -218.533602
where:
bonds (distance) C4'-P energy: -40.956
bonds (distance) P-C4' energy: -42.273
flat angles C4'-P-C4' energy: -45.971
flat angles P-C4'-P energy: -28.167
tors. eta vs tors. theta energy: -61.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -627.532787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.532787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.532787 (E_RNA)
where:
Base-Base interactions energy: -414.900
where: short stacking energy: -180.755
Base-Backbone interact. energy: -0.517
local terms energy: -212.115330
where:
bonds (distance) C4'-P energy: -34.531
bonds (distance) P-C4' energy: -45.766
flat angles C4'-P-C4' energy: -43.709
flat angles P-C4'-P energy: -30.081
tors. eta vs tors. theta energy: -58.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -609.538619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.538619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.538619 (E_RNA)
where:
Base-Base interactions energy: -404.527
where: short stacking energy: -177.703
Base-Backbone interact. energy: -0.230
local terms energy: -204.781533
where:
bonds (distance) C4'-P energy: -39.794
bonds (distance) P-C4' energy: -43.846
flat angles C4'-P-C4' energy: -46.584
flat angles P-C4'-P energy: -24.222
tors. eta vs tors. theta energy: -50.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -574.231499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.231499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.231499 (E_RNA)
where:
Base-Base interactions energy: -377.232
where: short stacking energy: -190.831
Base-Backbone interact. energy: -0.327
local terms energy: -196.672512
where:
bonds (distance) C4'-P energy: -33.032
bonds (distance) P-C4' energy: -38.160
flat angles C4'-P-C4' energy: -43.632
flat angles P-C4'-P energy: -26.096
tors. eta vs tors. theta energy: -55.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -594.822844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.822844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.822844 (E_RNA)
where:
Base-Base interactions energy: -405.089
where: short stacking energy: -183.910
Base-Backbone interact. energy: -1.069
local terms energy: -188.664771
where:
bonds (distance) C4'-P energy: -33.062
bonds (distance) P-C4' energy: -33.357
flat angles C4'-P-C4' energy: -41.048
flat angles P-C4'-P energy: -31.491
tors. eta vs tors. theta energy: -49.708
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: 8
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -552.794905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.794905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.794905 (E_RNA)
where:
Base-Base interactions energy: -359.992
where: short stacking energy: -170.290
Base-Backbone interact. energy: -0.109
local terms energy: -192.693660
where:
bonds (distance) C4'-P energy: -31.505
bonds (distance) P-C4' energy: -40.433
flat angles C4'-P-C4' energy: -43.205
flat angles P-C4'-P energy: -27.871
tors. eta vs tors. theta energy: -49.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -512.522254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.522254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.522254 (E_RNA)
where:
Base-Base interactions energy: -327.655
where: short stacking energy: -156.318
Base-Backbone interact. energy: -0.732
local terms energy: -184.134917
where:
bonds (distance) C4'-P energy: -32.035
bonds (distance) P-C4' energy: -44.556
flat angles C4'-P-C4' energy: -42.185
flat angles P-C4'-P energy: -23.982
tors. eta vs tors. theta energy: -41.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -205.195209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.195209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.195209 (E_RNA)
where:
Base-Base interactions energy: -82.068
where: short stacking energy: -58.225
Base-Backbone interact. energy: -0.054
local terms energy: -123.073616
where:
bonds (distance) C4'-P energy: -36.370
bonds (distance) P-C4' energy: -35.704
flat angles C4'-P-C4' energy: -30.608
flat angles P-C4'-P energy: -17.215
tors. eta vs tors. theta energy: -3.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -173.090463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.090463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.090463 (E_RNA)
where:
Base-Base interactions energy: -64.285
where: short stacking energy: -44.867
Base-Backbone interact. energy: -0.607
local terms energy: -108.198439
where:
bonds (distance) C4'-P energy: -27.878
bonds (distance) P-C4' energy: -36.636
flat angles C4'-P-C4' energy: -34.360
flat angles P-C4'-P energy: -20.044
tors. eta vs tors. theta energy: 10.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -181.200532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.200532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.200532 (E_RNA)
where:
Base-Base interactions energy: -74.346
where: short stacking energy: -44.959
Base-Backbone interact. energy: 3.460
local terms energy: -110.314692
where:
bonds (distance) C4'-P energy: -36.696
bonds (distance) P-C4' energy: -37.084
flat angles C4'-P-C4' energy: -28.626
flat angles P-C4'-P energy: -16.767
tors. eta vs tors. theta energy: 8.858
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: 4
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -671.550794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.550794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.550794 (E_RNA)
where:
Base-Base interactions energy: -444.449
where: short stacking energy: -209.769
Base-Backbone interact. energy: -0.184
local terms energy: -226.917346
where:
bonds (distance) C4'-P energy: -41.114
bonds (distance) P-C4' energy: -37.443
flat angles C4'-P-C4' energy: -45.473
flat angles P-C4'-P energy: -34.227
tors. eta vs tors. theta energy: -68.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -635.218461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.218461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.218461 (E_RNA)
where:
Base-Base interactions energy: -422.937
where: short stacking energy: -192.775
Base-Backbone interact. energy: -1.474
local terms energy: -210.807068
where:
bonds (distance) C4'-P energy: -38.044
bonds (distance) P-C4' energy: -34.590
flat angles C4'-P-C4' energy: -45.471
flat angles P-C4'-P energy: -31.279
tors. eta vs tors. theta energy: -61.423
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: 1
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -609.206504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.206504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.206504 (E_RNA)
where:
Base-Base interactions energy: -399.801
where: short stacking energy: -175.026
Base-Backbone interact. energy: -1.452
local terms energy: -207.954215
where:
bonds (distance) C4'-P energy: -39.835
bonds (distance) P-C4' energy: -37.960
flat angles C4'-P-C4' energy: -41.698
flat angles P-C4'-P energy: -29.426
tors. eta vs tors. theta energy: -59.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -582.074183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.074183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.074183 (E_RNA)
where:
Base-Base interactions energy: -374.810
where: short stacking energy: -184.281
Base-Backbone interact. energy: -0.869
local terms energy: -206.395153
where:
bonds (distance) C4'-P energy: -37.196
bonds (distance) P-C4' energy: -32.541
flat angles C4'-P-C4' energy: -45.286
flat angles P-C4'-P energy: -32.308
tors. eta vs tors. theta energy: -59.065
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: 5, replica: 8
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -574.405095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.405095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.405095 (E_RNA)
where:
Base-Base interactions energy: -372.878
where: short stacking energy: -176.364
Base-Backbone interact. energy: -0.650
local terms energy: -200.876792
where:
bonds (distance) C4'-P energy: -33.705
bonds (distance) P-C4' energy: -36.156
flat angles C4'-P-C4' energy: -42.025
flat angles P-C4'-P energy: -28.850
tors. eta vs tors. theta energy: -60.141
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: 9
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -524.527696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.527696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.527696 (E_RNA)
where:
Base-Base interactions energy: -334.622
where: short stacking energy: -152.295
Base-Backbone interact. energy: -1.372
local terms energy: -188.533619
where:
bonds (distance) C4'-P energy: -35.404
bonds (distance) P-C4' energy: -28.149
flat angles C4'-P-C4' energy: -42.021
flat angles P-C4'-P energy: -31.943
tors. eta vs tors. theta energy: -51.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -482.732422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.732422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.732422 (E_RNA)
where:
Base-Base interactions energy: -304.613
where: short stacking energy: -149.550
Base-Backbone interact. energy: -1.039
local terms energy: -177.079730
where:
bonds (distance) C4'-P energy: -36.221
bonds (distance) P-C4' energy: -30.075
flat angles C4'-P-C4' energy: -37.500
flat angles P-C4'-P energy: -25.967
tors. eta vs tors. theta energy: -47.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -197.262720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.262720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.262720 (E_RNA)
where:
Base-Base interactions energy: -67.975
where: short stacking energy: -57.790
Base-Backbone interact. energy: -1.392
local terms energy: -127.895139
where:
bonds (distance) C4'-P energy: -23.398
bonds (distance) P-C4' energy: -37.138
flat angles C4'-P-C4' energy: -39.220
flat angles P-C4'-P energy: -20.029
tors. eta vs tors. theta energy: -8.111
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: 9, replica: 3
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -178.645432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.645432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.645432 (E_RNA)
where:
Base-Base interactions energy: -69.830
where: short stacking energy: -48.361
Base-Backbone interact. energy: -0.779
local terms energy: -108.036980
where:
bonds (distance) C4'-P energy: -33.919
bonds (distance) P-C4' energy: -38.801
flat angles C4'-P-C4' energy: -24.422
flat angles P-C4'-P energy: -7.034
tors. eta vs tors. theta energy: -3.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -157.194327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.194327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.194327 (E_RNA)
where:
Base-Base interactions energy: -45.640
where: short stacking energy: -43.527
Base-Backbone interact. energy: -0.640
local terms energy: -110.913775
where:
bonds (distance) C4'-P energy: -32.116
bonds (distance) P-C4' energy: -32.421
flat angles C4'-P-C4' energy: -28.357
flat angles P-C4'-P energy: -16.839
tors. eta vs tors. theta energy: -1.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -671.054371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.054371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.054371 (E_RNA)
where:
Base-Base interactions energy: -454.298
where: short stacking energy: -219.561
Base-Backbone interact. energy: -0.419
local terms energy: -216.337478
where:
bonds (distance) C4'-P energy: -37.250
bonds (distance) P-C4' energy: -39.982
flat angles C4'-P-C4' energy: -48.539
flat angles P-C4'-P energy: -24.305
tors. eta vs tors. theta energy: -66.263
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: 2
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -631.264279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.264279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.264279 (E_RNA)
where:
Base-Base interactions energy: -412.949
where: short stacking energy: -187.865
Base-Backbone interact. energy: 0.378
local terms energy: -218.693354
where:
bonds (distance) C4'-P energy: -44.266
bonds (distance) P-C4' energy: -47.213
flat angles C4'-P-C4' energy: -39.157
flat angles P-C4'-P energy: -25.959
tors. eta vs tors. theta energy: -62.099
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: 1
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -590.943117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.943117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.943117 (E_RNA)
where:
Base-Base interactions energy: -392.105
where: short stacking energy: -162.898
Base-Backbone interact. energy: -1.333
local terms energy: -197.505650
where:
bonds (distance) C4'-P energy: -35.839
bonds (distance) P-C4' energy: -42.329
flat angles C4'-P-C4' energy: -39.310
flat angles P-C4'-P energy: -26.224
tors. eta vs tors. theta energy: -53.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -599.700758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.700758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.700758 (E_RNA)
where:
Base-Base interactions energy: -394.182
where: short stacking energy: -196.830
Base-Backbone interact. energy: -0.108
local terms energy: -205.411447
where:
bonds (distance) C4'-P energy: -32.855
bonds (distance) P-C4' energy: -37.879
flat angles C4'-P-C4' energy: -41.676
flat angles P-C4'-P energy: -30.281
tors. eta vs tors. theta energy: -62.719
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: 7
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -564.308525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.308525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.308525 (E_RNA)
where:
Base-Base interactions energy: -367.212
where: short stacking energy: -165.374
Base-Backbone interact. energy: -0.083
local terms energy: -197.013806
where:
bonds (distance) C4'-P energy: -36.187
bonds (distance) P-C4' energy: -38.199
flat angles C4'-P-C4' energy: -44.230
flat angles P-C4'-P energy: -28.490
tors. eta vs tors. theta energy: -49.907
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: 6, replica: 6
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -527.001121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.001121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.001121 (E_RNA)
where:
Base-Base interactions energy: -348.742
where: short stacking energy: -151.900
Base-Backbone interact. energy: 1.396
local terms energy: -179.655408
where:
bonds (distance) C4'-P energy: -34.520
bonds (distance) P-C4' energy: -40.682
flat angles C4'-P-C4' energy: -37.955
flat angles P-C4'-P energy: -28.972
tors. eta vs tors. theta energy: -37.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -484.463659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.463659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.463659 (E_RNA)
where:
Base-Base interactions energy: -309.954
where: short stacking energy: -139.704
Base-Backbone interact. energy: -1.728
local terms energy: -172.781220
where:
bonds (distance) C4'-P energy: -39.391
bonds (distance) P-C4' energy: -32.407
flat angles C4'-P-C4' energy: -38.726
flat angles P-C4'-P energy: -20.845
tors. eta vs tors. theta energy: -41.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -224.566543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.566543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.566543 (E_RNA)
where:
Base-Base interactions energy: -93.260
where: short stacking energy: -72.588
Base-Backbone interact. energy: -0.412
local terms energy: -130.894050
where:
bonds (distance) C4'-P energy: -35.693
bonds (distance) P-C4' energy: -40.100
flat angles C4'-P-C4' energy: -34.251
flat angles P-C4'-P energy: -17.698
tors. eta vs tors. theta energy: -3.153
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: 9, replica: 10
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -177.815906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.815906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.815906 (E_RNA)
where:
Base-Base interactions energy: -68.172
where: short stacking energy: -44.903
Base-Backbone interact. energy: 4.381
local terms energy: -114.025517
where:
bonds (distance) C4'-P energy: -34.901
bonds (distance) P-C4' energy: -40.895
flat angles C4'-P-C4' energy: -23.204
flat angles P-C4'-P energy: -28.050
tors. eta vs tors. theta energy: 13.024
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: 5
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -170.635645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.635645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.635645 (E_RNA)
where:
Base-Base interactions energy: -71.542
where: short stacking energy: -61.490
Base-Backbone interact. energy: 1.275
local terms energy: -100.369004
where:
bonds (distance) C4'-P energy: -24.946
bonds (distance) P-C4' energy: -39.067
flat angles C4'-P-C4' energy: -29.019
flat angles P-C4'-P energy: -9.767
tors. eta vs tors. theta energy: 2.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -663.596528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.596528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.596528 (E_RNA)
where:
Base-Base interactions energy: -446.275
where: short stacking energy: -201.725
Base-Backbone interact. energy: -2.141
local terms energy: -215.180797
where:
bonds (distance) C4'-P energy: -34.290
bonds (distance) P-C4' energy: -36.133
flat angles C4'-P-C4' energy: -45.516
flat angles P-C4'-P energy: -34.551
tors. eta vs tors. theta energy: -64.690
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: 2
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -622.706138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.706138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.706138 (E_RNA)
where:
Base-Base interactions energy: -416.989
where: short stacking energy: -181.186
Base-Backbone interact. energy: -1.245
local terms energy: -204.472317
where:
bonds (distance) C4'-P energy: -44.642
bonds (distance) P-C4' energy: -36.218
flat angles C4'-P-C4' energy: -42.853
flat angles P-C4'-P energy: -27.537
tors. eta vs tors. theta energy: -53.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -591.718953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.718953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.718953 (E_RNA)
where:
Base-Base interactions energy: -391.991
where: short stacking energy: -181.133
Base-Backbone interact. energy: -0.792
local terms energy: -198.935881
where:
bonds (distance) C4'-P energy: -30.321
bonds (distance) P-C4' energy: -41.948
flat angles C4'-P-C4' energy: -44.763
flat angles P-C4'-P energy: -28.594
tors. eta vs tors. theta energy: -53.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -569.917569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.917569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.917569 (E_RNA)
where:
Base-Base interactions energy: -373.621
where: short stacking energy: -166.643
Base-Backbone interact. energy: -1.465
local terms energy: -194.831524
where:
bonds (distance) C4'-P energy: -36.691
bonds (distance) P-C4' energy: -42.345
flat angles C4'-P-C4' energy: -38.245
flat angles P-C4'-P energy: -28.666
tors. eta vs tors. theta energy: -48.884
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: 7
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -578.320306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.320306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.320306 (E_RNA)
where:
Base-Base interactions energy: -376.531
where: short stacking energy: -182.118
Base-Backbone interact. energy: -0.395
local terms energy: -201.394214
where:
bonds (distance) C4'-P energy: -39.421
bonds (distance) P-C4' energy: -38.051
flat angles C4'-P-C4' energy: -44.007
flat angles P-C4'-P energy: -27.140
tors. eta vs tors. theta energy: -52.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -527.080902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.080902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.080902 (E_RNA)
where:
Base-Base interactions energy: -361.050
where: short stacking energy: -150.137
Base-Backbone interact. energy: -0.437
local terms energy: -165.594421
where:
bonds (distance) C4'-P energy: -29.904
bonds (distance) P-C4' energy: -31.890
flat angles C4'-P-C4' energy: -35.150
flat angles P-C4'-P energy: -24.102
tors. eta vs tors. theta energy: -44.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -482.625349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.625349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.625349 (E_RNA)
where:
Base-Base interactions energy: -315.255
where: short stacking energy: -140.547
Base-Backbone interact. energy: -1.168
local terms energy: -166.201722
where:
bonds (distance) C4'-P energy: -34.589
bonds (distance) P-C4' energy: -26.222
flat angles C4'-P-C4' energy: -40.179
flat angles P-C4'-P energy: -28.089
tors. eta vs tors. theta energy: -37.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -201.775587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.775587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.775587 (E_RNA)
where:
Base-Base interactions energy: -60.745
where: short stacking energy: -56.679
Base-Backbone interact. energy: -0.460
local terms energy: -140.571127
where:
bonds (distance) C4'-P energy: -31.062
bonds (distance) P-C4' energy: -41.594
flat angles C4'-P-C4' energy: -36.560
flat angles P-C4'-P energy: -23.283
tors. eta vs tors. theta energy: -8.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -201.646609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.646609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.646609 (E_RNA)
where:
Base-Base interactions energy: -82.671
where: short stacking energy: -45.594
Base-Backbone interact. energy: -0.662
local terms energy: -118.313377
where:
bonds (distance) C4'-P energy: -32.522
bonds (distance) P-C4' energy: -32.497
flat angles C4'-P-C4' energy: -28.722
flat angles P-C4'-P energy: -20.104
tors. eta vs tors. theta energy: -4.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -167.694703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.694703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.694703 (E_RNA)
where:
Base-Base interactions energy: -61.395
where: short stacking energy: -42.052
Base-Backbone interact. energy: -1.044
local terms energy: -105.255320
where:
bonds (distance) C4'-P energy: -29.412
bonds (distance) P-C4' energy: -35.928
flat angles C4'-P-C4' energy: -26.075
flat angles P-C4'-P energy: -19.346
tors. eta vs tors. theta energy: 5.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -679.332371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.332371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.332371 (E_RNA)
where:
Base-Base interactions energy: -439.155
where: short stacking energy: -208.881
Base-Backbone interact. energy: -1.706
local terms energy: -238.471684
where:
bonds (distance) C4'-P energy: -38.951
bonds (distance) P-C4' energy: -44.590
flat angles C4'-P-C4' energy: -50.710
flat angles P-C4'-P energy: -37.732
tors. eta vs tors. theta energy: -66.489
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: 8
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -613.419490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.419490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.419490 (E_RNA)
where:
Base-Base interactions energy: -403.414
where: short stacking energy: -202.677
Base-Backbone interact. energy: -0.640
local terms energy: -209.365941
where:
bonds (distance) C4'-P energy: -35.021
bonds (distance) P-C4' energy: -35.917
flat angles C4'-P-C4' energy: -44.300
flat angles P-C4'-P energy: -33.200
tors. eta vs tors. theta energy: -60.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -617.576386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.576386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.576386 (E_RNA)
where:
Base-Base interactions energy: -409.604
where: short stacking energy: -181.341
Base-Backbone interact. energy: -1.483
local terms energy: -206.489768
where:
bonds (distance) C4'-P energy: -41.114
bonds (distance) P-C4' energy: -43.213
flat angles C4'-P-C4' energy: -40.233
flat angles P-C4'-P energy: -29.546
tors. eta vs tors. theta energy: -52.383
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: 7
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -581.243791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.243791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.243791 (E_RNA)
where:
Base-Base interactions energy: -374.129
where: short stacking energy: -187.089
Base-Backbone interact. energy: -0.355
local terms energy: -206.759413
where:
bonds (distance) C4'-P energy: -39.307
bonds (distance) P-C4' energy: -37.972
flat angles C4'-P-C4' energy: -42.842
flat angles P-C4'-P energy: -28.223
tors. eta vs tors. theta energy: -58.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -550.202184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.202184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.202184 (E_RNA)
where:
Base-Base interactions energy: -372.088
where: short stacking energy: -162.407
Base-Backbone interact. energy: -0.020
local terms energy: -178.094091
where:
bonds (distance) C4'-P energy: -29.942
bonds (distance) P-C4' energy: -30.623
flat angles C4'-P-C4' energy: -41.361
flat angles P-C4'-P energy: -23.310
tors. eta vs tors. theta energy: -52.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -527.870396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.870396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.870396 (E_RNA)
where:
Base-Base interactions energy: -354.713
where: short stacking energy: -159.320
Base-Backbone interact. energy: -0.159
local terms energy: -172.998867
where:
bonds (distance) C4'-P energy: -32.677
bonds (distance) P-C4' energy: -30.764
flat angles C4'-P-C4' energy: -35.949
flat angles P-C4'-P energy: -21.230
tors. eta vs tors. theta energy: -52.379
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: 9
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -538.772836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.772836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.772836 (E_RNA)
where:
Base-Base interactions energy: -346.188
where: short stacking energy: -172.790
Base-Backbone interact. energy: 1.467
local terms energy: -194.052171
where:
bonds (distance) C4'-P energy: -35.669
bonds (distance) P-C4' energy: -40.437
flat angles C4'-P-C4' energy: -35.843
flat angles P-C4'-P energy: -31.084
tors. eta vs tors. theta energy: -51.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -184.984741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.984741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.984741 (E_RNA)
where:
Base-Base interactions energy: -83.295
where: short stacking energy: -37.181
Base-Backbone interact. energy: -0.289
local terms energy: -101.400385
where:
bonds (distance) C4'-P energy: -26.982
bonds (distance) P-C4' energy: -38.857
flat angles C4'-P-C4' energy: -26.618
flat angles P-C4'-P energy: -13.887
tors. eta vs tors. theta energy: 4.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -178.207515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.207515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.207515 (E_RNA)
where:
Base-Base interactions energy: -66.270
where: short stacking energy: -46.937
Base-Backbone interact. energy: -0.452
local terms energy: -111.485243
where:
bonds (distance) C4'-P energy: -37.329
bonds (distance) P-C4' energy: -20.454
flat angles C4'-P-C4' energy: -37.913
flat angles P-C4'-P energy: -17.385
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: 337
Temperature: 1.350000
Total energy: -182.244083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.244083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.244083 (E_RNA)
where:
Base-Base interactions energy: -77.826
where: short stacking energy: -56.128
Base-Backbone interact. energy: -0.062
local terms energy: -104.355717
where:
bonds (distance) C4'-P energy: -37.686
bonds (distance) P-C4' energy: -25.987
flat angles C4'-P-C4' energy: -32.012
flat angles P-C4'-P energy: -12.069
tors. eta vs tors. theta energy: 3.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -666.844189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.844189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.844189 (E_RNA)
where:
Base-Base interactions energy: -446.148
where: short stacking energy: -203.545
Base-Backbone interact. energy: 0.747
local terms energy: -221.442859
where:
bonds (distance) C4'-P energy: -39.791
bonds (distance) P-C4' energy: -35.082
flat angles C4'-P-C4' energy: -46.360
flat angles P-C4'-P energy: -35.631
tors. eta vs tors. theta energy: -64.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -606.562379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.562379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.562379 (E_RNA)
where:
Base-Base interactions energy: -410.327
where: short stacking energy: -188.338
Base-Backbone interact. energy: 0.184
local terms energy: -196.419570
where:
bonds (distance) C4'-P energy: -28.757
bonds (distance) P-C4' energy: -35.392
flat angles C4'-P-C4' energy: -43.556
flat angles P-C4'-P energy: -33.870
tors. eta vs tors. theta energy: -54.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -596.716259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.716259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.716259 (E_RNA)
where:
Base-Base interactions energy: -400.682
where: short stacking energy: -181.004
Base-Backbone interact. energy: 1.641
local terms energy: -197.676027
where:
bonds (distance) C4'-P energy: -34.621
bonds (distance) P-C4' energy: -34.742
flat angles C4'-P-C4' energy: -44.743
flat angles P-C4'-P energy: -30.993
tors. eta vs tors. theta energy: -52.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -604.840277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.840277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.840277 (E_RNA)
where:
Base-Base interactions energy: -401.140
where: short stacking energy: -187.664
Base-Backbone interact. energy: -0.473
local terms energy: -203.227022
where:
bonds (distance) C4'-P energy: -39.926
bonds (distance) P-C4' energy: -34.256
flat angles C4'-P-C4' energy: -47.964
flat angles P-C4'-P energy: -28.220
tors. eta vs tors. theta energy: -52.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -572.678410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.678410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.678410 (E_RNA)
where:
Base-Base interactions energy: -393.715
where: short stacking energy: -177.194
Base-Backbone interact. energy: -1.116
local terms energy: -177.847393
where:
bonds (distance) C4'-P energy: -33.457
bonds (distance) P-C4' energy: -29.298
flat angles C4'-P-C4' energy: -39.589
flat angles P-C4'-P energy: -23.838
tors. eta vs tors. theta energy: -51.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -512.536727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.536727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.536727 (E_RNA)
where:
Base-Base interactions energy: -319.653
where: short stacking energy: -130.647
Base-Backbone interact. energy: -0.189
local terms energy: -192.695188
where:
bonds (distance) C4'-P energy: -42.404
bonds (distance) P-C4' energy: -36.095
flat angles C4'-P-C4' energy: -42.764
flat angles P-C4'-P energy: -22.010
tors. eta vs tors. theta energy: -49.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -523.458825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.458825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.458825 (E_RNA)
where:
Base-Base interactions energy: -334.107
where: short stacking energy: -156.463
Base-Backbone interact. energy: -0.122
local terms energy: -189.230534
where:
bonds (distance) C4'-P energy: -38.749
bonds (distance) P-C4' energy: -40.478
flat angles C4'-P-C4' energy: -35.905
flat angles P-C4'-P energy: -24.491
tors. eta vs tors. theta energy: -49.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -206.613448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.613448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.613448 (E_RNA)
where:
Base-Base interactions energy: -76.395
where: short stacking energy: -61.814
Base-Backbone interact. energy: 3.379
local terms energy: -133.597520
where:
bonds (distance) C4'-P energy: -31.353
bonds (distance) P-C4' energy: -43.615
flat angles C4'-P-C4' energy: -35.628
flat angles P-C4'-P energy: -20.456
tors. eta vs tors. theta energy: -2.545
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: 10
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -184.975797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.975797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.975797 (E_RNA)
where:
Base-Base interactions energy: -79.191
where: short stacking energy: -65.219
Base-Backbone interact. energy: 0.632
local terms energy: -106.416742
where:
bonds (distance) C4'-P energy: -32.687
bonds (distance) P-C4' energy: -30.597
flat angles C4'-P-C4' energy: -26.969
flat angles P-C4'-P energy: -14.704
tors. eta vs tors. theta energy: -1.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -175.983619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.983619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.983619 (E_RNA)
where:
Base-Base interactions energy: -54.169
where: short stacking energy: -54.169
Base-Backbone interact. energy: -0.754
local terms energy: -121.060468
where:
bonds (distance) C4'-P energy: -27.790
bonds (distance) P-C4' energy: -34.681
flat angles C4'-P-C4' energy: -34.682
flat angles P-C4'-P energy: -24.958
tors. eta vs tors. theta energy: 1.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -662.180609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.180609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.180609 (E_RNA)
where:
Base-Base interactions energy: -441.820
where: short stacking energy: -200.761
Base-Backbone interact. energy: -0.448
local terms energy: -219.912207
where:
bonds (distance) C4'-P energy: -44.967
bonds (distance) P-C4' energy: -43.408
flat angles C4'-P-C4' energy: -42.699
flat angles P-C4'-P energy: -24.692
tors. eta vs tors. theta energy: -64.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -615.418578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.418578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.418578 (E_RNA)
where:
Base-Base interactions energy: -398.878
where: short stacking energy: -170.744
Base-Backbone interact. energy: -0.502
local terms energy: -216.038657
where:
bonds (distance) C4'-P energy: -42.044
bonds (distance) P-C4' energy: -44.513
flat angles C4'-P-C4' energy: -41.793
flat angles P-C4'-P energy: -32.685
tors. eta vs tors. theta energy: -55.004
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: 3, replica: 7
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -595.286540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.286540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.286540 (E_RNA)
where:
Base-Base interactions energy: -394.430
where: short stacking energy: -174.402
Base-Backbone interact. energy: -1.419
local terms energy: -199.437429
where:
bonds (distance) C4'-P energy: -34.967
bonds (distance) P-C4' energy: -41.721
flat angles C4'-P-C4' energy: -41.815
flat angles P-C4'-P energy: -24.560
tors. eta vs tors. theta energy: -56.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -607.095327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.095327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.095327 (E_RNA)
where:
Base-Base interactions energy: -405.634
where: short stacking energy: -191.847
Base-Backbone interact. energy: -0.050
local terms energy: -201.411341
where:
bonds (distance) C4'-P energy: -36.160
bonds (distance) P-C4' energy: -34.613
flat angles C4'-P-C4' energy: -43.184
flat angles P-C4'-P energy: -29.244
tors. eta vs tors. theta energy: -58.211
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: 5, replica: 6
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -570.389442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.389442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.389442 (E_RNA)
where:
Base-Base interactions energy: -373.214
where: short stacking energy: -168.205
Base-Backbone interact. energy: -1.104
local terms energy: -196.071711
where:
bonds (distance) C4'-P energy: -39.679
bonds (distance) P-C4' energy: -38.691
flat angles C4'-P-C4' energy: -42.184
flat angles P-C4'-P energy: -24.302
tors. eta vs tors. theta energy: -51.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -505.872241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.872241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.872241 (E_RNA)
where:
Base-Base interactions energy: -318.749
where: short stacking energy: -147.221
Base-Backbone interact. energy: -1.072
local terms energy: -186.050626
where:
bonds (distance) C4'-P energy: -39.608
bonds (distance) P-C4' energy: -36.338
flat angles C4'-P-C4' energy: -39.245
flat angles P-C4'-P energy: -29.931
tors. eta vs tors. theta energy: -40.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -495.469585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.469585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.469585 (E_RNA)
where:
Base-Base interactions energy: -322.229
where: short stacking energy: -144.488
Base-Backbone interact. energy: -0.607
local terms energy: -172.634326
where:
bonds (distance) C4'-P energy: -30.048
bonds (distance) P-C4' energy: -39.469
flat angles C4'-P-C4' energy: -32.852
flat angles P-C4'-P energy: -24.662
tors. eta vs tors. theta energy: -45.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -190.550075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.550075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.550075 (E_RNA)
where:
Base-Base interactions energy: -82.826
where: short stacking energy: -61.583
Base-Backbone interact. energy: 1.130
local terms energy: -108.853376
where:
bonds (distance) C4'-P energy: -34.317
bonds (distance) P-C4' energy: -35.652
flat angles C4'-P-C4' energy: -24.284
flat angles P-C4'-P energy: -16.438
tors. eta vs tors. theta energy: 1.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -186.450286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.450286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.450286 (E_RNA)
where:
Base-Base interactions energy: -63.267
where: short stacking energy: -40.319
Base-Backbone interact. energy: 0.253
local terms energy: -123.436059
where:
bonds (distance) C4'-P energy: -39.023
bonds (distance) P-C4' energy: -41.094
flat angles C4'-P-C4' energy: -19.155
flat angles P-C4'-P energy: -20.272
tors. eta vs tors. theta energy: -3.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -172.063664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.063664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.063664 (E_RNA)
where:
Base-Base interactions energy: -72.129
where: short stacking energy: -58.829
Base-Backbone interact. energy: -0.239
local terms energy: -99.696233
where:
bonds (distance) C4'-P energy: -27.853
bonds (distance) P-C4' energy: -39.977
flat angles C4'-P-C4' energy: -15.972
flat angles P-C4'-P energy: -22.252
tors. eta vs tors. theta energy: 6.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -661.312361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.312361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.312361 (E_RNA)
where:
Base-Base interactions energy: -458.163
where: short stacking energy: -203.592
Base-Backbone interact. energy: -1.012
local terms energy: -202.137452
where:
bonds (distance) C4'-P energy: -35.983
bonds (distance) P-C4' energy: -36.710
flat angles C4'-P-C4' energy: -43.705
flat angles P-C4'-P energy: -25.623
tors. eta vs tors. theta energy: -60.117
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: 8
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -621.375810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.375810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.375810 (E_RNA)
where:
Base-Base interactions energy: -393.850
where: short stacking energy: -191.875
Base-Backbone interact. energy: -1.835
local terms energy: -225.690433
where:
bonds (distance) C4'-P energy: -37.030
bonds (distance) P-C4' energy: -39.358
flat angles C4'-P-C4' energy: -46.091
flat angles P-C4'-P energy: -39.580
tors. eta vs tors. theta energy: -63.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -611.502132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.502132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.502132 (E_RNA)
where:
Base-Base interactions energy: -409.331
where: short stacking energy: -181.672
Base-Backbone interact. energy: -0.137
local terms energy: -202.033859
where:
bonds (distance) C4'-P energy: -35.209
bonds (distance) P-C4' energy: -35.849
flat angles C4'-P-C4' energy: -43.157
flat angles P-C4'-P energy: -32.020
tors. eta vs tors. theta energy: -55.799
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: 4, replica: 7
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -577.702970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.702970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.702970 (E_RNA)
where:
Base-Base interactions energy: -377.672
where: short stacking energy: -187.951
Base-Backbone interact. energy: -1.086
local terms energy: -198.945373
where:
bonds (distance) C4'-P energy: -33.705
bonds (distance) P-C4' energy: -35.682
flat angles C4'-P-C4' energy: -46.757
flat angles P-C4'-P energy: -25.600
tors. eta vs tors. theta energy: -57.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -525.223849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.223849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.223849 (E_RNA)
where:
Base-Base interactions energy: -348.997
where: short stacking energy: -158.650
Base-Backbone interact. energy: -0.761
local terms energy: -175.465492
where:
bonds (distance) C4'-P energy: -28.189
bonds (distance) P-C4' energy: -39.129
flat angles C4'-P-C4' energy: -37.429
flat angles P-C4'-P energy: -29.308
tors. eta vs tors. theta energy: -41.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -537.083760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.083760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.083760 (E_RNA)
where:
Base-Base interactions energy: -356.723
where: short stacking energy: -146.301
Base-Backbone interact. energy: -0.656
local terms energy: -179.704878
where:
bonds (distance) C4'-P energy: -32.146
bonds (distance) P-C4' energy: -36.056
flat angles C4'-P-C4' energy: -45.807
flat angles P-C4'-P energy: -24.826
tors. eta vs tors. theta energy: -40.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -501.805161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.805161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.805161 (E_RNA)
where:
Base-Base interactions energy: -335.504
where: short stacking energy: -127.303
Base-Backbone interact. energy: -0.062
local terms energy: -166.239439
where:
bonds (distance) C4'-P energy: -33.394
bonds (distance) P-C4' energy: -38.445
flat angles C4'-P-C4' energy: -38.105
flat angles P-C4'-P energy: -24.132
tors. eta vs tors. theta energy: -32.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -208.546147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.546147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.546147 (E_RNA)
where:
Base-Base interactions energy: -84.185
where: short stacking energy: -61.215
Base-Backbone interact. energy: -0.579
local terms energy: -123.781230
where:
bonds (distance) C4'-P energy: -35.510
bonds (distance) P-C4' energy: -39.764
flat angles C4'-P-C4' energy: -31.847
flat angles P-C4'-P energy: -16.848
tors. eta vs tors. theta energy: 0.188
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: 340
Temperature: 1.300000
Total energy: -188.083976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.083976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.083976 (E_RNA)
where:
Base-Base interactions energy: -75.550
where: short stacking energy: -59.569
Base-Backbone interact. energy: -0.679
local terms energy: -111.854767
where:
bonds (distance) C4'-P energy: -37.294
bonds (distance) P-C4' energy: -40.429
flat angles C4'-P-C4' energy: -29.013
flat angles P-C4'-P energy: -4.047
tors. eta vs tors. theta energy: -1.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -158.394269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.394269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.394269 (E_RNA)
where:
Base-Base interactions energy: -48.607
where: short stacking energy: -31.173
Base-Backbone interact. energy: -0.201
local terms energy: -109.586859
where:
bonds (distance) C4'-P energy: -38.485
bonds (distance) P-C4' energy: -31.789
flat angles C4'-P-C4' energy: -28.843
flat angles P-C4'-P energy: -21.966
tors. eta vs tors. theta energy: 11.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -672.692634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.692634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.692634 (E_RNA)
where:
Base-Base interactions energy: -450.139
where: short stacking energy: -207.097
Base-Backbone interact. energy: 0.486
local terms energy: -223.040069
where:
bonds (distance) C4'-P energy: -43.966
bonds (distance) P-C4' energy: -38.947
flat angles C4'-P-C4' energy: -44.501
flat angles P-C4'-P energy: -32.029
tors. eta vs tors. theta energy: -63.598
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: 341
Temperature: 0.950000
Total energy: -613.549226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.549226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.549226 (E_RNA)
where:
Base-Base interactions energy: -404.201
where: short stacking energy: -170.216
Base-Backbone interact. energy: -1.759
local terms energy: -207.588500
where:
bonds (distance) C4'-P energy: -41.495
bonds (distance) P-C4' energy: -39.603
flat angles C4'-P-C4' energy: -44.665
flat angles P-C4'-P energy: -29.801
tors. eta vs tors. theta energy: -52.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -600.831677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.831677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.831677 (E_RNA)
where:
Base-Base interactions energy: -394.026
where: short stacking energy: -183.372
Base-Backbone interact. energy: -0.611
local terms energy: -206.194715
where:
bonds (distance) C4'-P energy: -40.391
bonds (distance) P-C4' energy: -41.912
flat angles C4'-P-C4' energy: -40.131
flat angles P-C4'-P energy: -27.031
tors. eta vs tors. theta energy: -56.730
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: 9
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -582.414891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.414891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.414891 (E_RNA)
where:
Base-Base interactions energy: -388.136
where: short stacking energy: -176.044
Base-Backbone interact. energy: 0.424
local terms energy: -194.702946
where:
bonds (distance) C4'-P energy: -37.786
bonds (distance) P-C4' energy: -33.947
flat angles C4'-P-C4' energy: -45.658
flat angles P-C4'-P energy: -26.053
tors. eta vs tors. theta energy: -51.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -566.535677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.535677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.535677 (E_RNA)
where:
Base-Base interactions energy: -373.418
where: short stacking energy: -176.283
Base-Backbone interact. energy: -0.453
local terms energy: -192.664616
where:
bonds (distance) C4'-P energy: -29.313
bonds (distance) P-C4' energy: -40.727
flat angles C4'-P-C4' energy: -42.279
flat angles P-C4'-P energy: -27.325
tors. eta vs tors. theta energy: -53.020
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: 1
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -519.217681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.217681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.217681 (E_RNA)
where:
Base-Base interactions energy: -340.543
where: short stacking energy: -138.320
Base-Backbone interact. energy: -0.498
local terms energy: -178.176530
where:
bonds (distance) C4'-P energy: -36.246
bonds (distance) P-C4' energy: -37.790
flat angles C4'-P-C4' energy: -41.298
flat angles P-C4'-P energy: -25.775
tors. eta vs tors. theta energy: -37.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -511.426236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.426236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.426236 (E_RNA)
where:
Base-Base interactions energy: -345.022
where: short stacking energy: -156.179
Base-Backbone interact. energy: 0.581
local terms energy: -166.985253
where:
bonds (distance) C4'-P energy: -28.788
bonds (distance) P-C4' energy: -38.762
flat angles C4'-P-C4' energy: -34.897
flat angles P-C4'-P energy: -21.863
tors. eta vs tors. theta energy: -42.676
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: 8, replica: 5
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -203.088881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.088881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.088881 (E_RNA)
where:
Base-Base interactions energy: -74.571
where: short stacking energy: -56.095
Base-Backbone interact. energy: -0.567
local terms energy: -127.950100
where:
bonds (distance) C4'-P energy: -37.988
bonds (distance) P-C4' energy: -39.477
flat angles C4'-P-C4' energy: -22.149
flat angles P-C4'-P energy: -28.159
tors. eta vs tors. theta energy: -0.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -204.887608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.887608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.887608 (E_RNA)
where:
Base-Base interactions energy: -83.586
where: short stacking energy: -41.498
Base-Backbone interact. energy: 0.477
local terms energy: -121.777972
where:
bonds (distance) C4'-P energy: -38.416
bonds (distance) P-C4' energy: -35.311
flat angles C4'-P-C4' energy: -32.295
flat angles P-C4'-P energy: -22.778
tors. eta vs tors. theta energy: 7.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -183.319173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.319173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.319173 (E_RNA)
where:
Base-Base interactions energy: -67.784
where: short stacking energy: -49.983
Base-Backbone interact. energy: -0.964
local terms energy: -114.570979
where:
bonds (distance) C4'-P energy: -20.823
bonds (distance) P-C4' energy: -43.197
flat angles C4'-P-C4' energy: -27.342
flat angles P-C4'-P energy: -12.250
tors. eta vs tors. theta energy: -10.959
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: 4
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -674.111400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.111400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.111400 (E_RNA)
where:
Base-Base interactions energy: -454.295
where: short stacking energy: -200.683
Base-Backbone interact. energy: -0.529
local terms energy: -219.287057
where:
bonds (distance) C4'-P energy: -37.426
bonds (distance) P-C4' energy: -42.978
flat angles C4'-P-C4' energy: -40.555
flat angles P-C4'-P energy: -36.496
tors. eta vs tors. theta energy: -61.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -633.454502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.454502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.454502 (E_RNA)
where:
Base-Base interactions energy: -428.230
where: short stacking energy: -179.484
Base-Backbone interact. energy: 0.844
local terms energy: -206.068730
where:
bonds (distance) C4'-P energy: -44.613
bonds (distance) P-C4' energy: -29.868
flat angles C4'-P-C4' energy: -45.075
flat angles P-C4'-P energy: -30.257
tors. eta vs tors. theta energy: -56.255
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: 342
Temperature: 1.000000
Total energy: -602.747511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.747511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.747511 (E_RNA)
where:
Base-Base interactions energy: -392.579
where: short stacking energy: -185.712
Base-Backbone interact. energy: -0.689
local terms energy: -209.479742
where:
bonds (distance) C4'-P energy: -41.066
bonds (distance) P-C4' energy: -41.223
flat angles C4'-P-C4' energy: -42.515
flat angles P-C4'-P energy: -36.189
tors. eta vs tors. theta energy: -48.487
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: 9
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -587.669081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.669081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.669081 (E_RNA)
where:
Base-Base interactions energy: -396.023
where: short stacking energy: -174.967
Base-Backbone interact. energy: 2.227
local terms energy: -193.873276
where:
bonds (distance) C4'-P energy: -34.370
bonds (distance) P-C4' energy: -39.890
flat angles C4'-P-C4' energy: -42.294
flat angles P-C4'-P energy: -24.001
tors. eta vs tors. theta energy: -53.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -564.579015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.579015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.579015 (E_RNA)
where:
Base-Base interactions energy: -363.044
where: short stacking energy: -179.402
Base-Backbone interact. energy: -0.704
local terms energy: -200.831141
where:
bonds (distance) C4'-P energy: -34.912
bonds (distance) P-C4' energy: -39.574
flat angles C4'-P-C4' energy: -38.987
flat angles P-C4'-P energy: -28.106
tors. eta vs tors. theta energy: -59.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -493.025147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.025147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.025147 (E_RNA)
where:
Base-Base interactions energy: -311.610
where: short stacking energy: -126.853
Base-Backbone interact. energy: -0.886
local terms energy: -180.528246
where:
bonds (distance) C4'-P energy: -36.617
bonds (distance) P-C4' energy: -36.227
flat angles C4'-P-C4' energy: -43.557
flat angles P-C4'-P energy: -25.166
tors. eta vs tors. theta energy: -38.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -478.478892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.478892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.478892 (E_RNA)
where:
Base-Base interactions energy: -316.552
where: short stacking energy: -154.685
Base-Backbone interact. energy: -0.165
local terms energy: -161.761227
where:
bonds (distance) C4'-P energy: -37.731
bonds (distance) P-C4' energy: -36.522
flat angles C4'-P-C4' energy: -30.855
flat angles P-C4'-P energy: -18.092
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: 8, replica: 5
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -202.321010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.321010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.321010 (E_RNA)
where:
Base-Base interactions energy: -54.862
where: short stacking energy: -47.969
Base-Backbone interact. energy: 0.242
local terms energy: -147.700662
where:
bonds (distance) C4'-P energy: -33.449
bonds (distance) P-C4' energy: -40.062
flat angles C4'-P-C4' energy: -39.811
flat angles P-C4'-P energy: -31.135
tors. eta vs tors. theta energy: -3.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -181.731352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.731352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.731352 (E_RNA)
where:
Base-Base interactions energy: -73.693
where: short stacking energy: -53.704
Base-Backbone interact. energy: -0.970
local terms energy: -107.068463
where:
bonds (distance) C4'-P energy: -36.754
bonds (distance) P-C4' energy: -26.069
flat angles C4'-P-C4' energy: -25.147
flat angles P-C4'-P energy: -15.429
tors. eta vs tors. theta energy: -3.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -168.372791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.372791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.372791 (E_RNA)
where:
Base-Base interactions energy: -60.353
where: short stacking energy: -38.895
Base-Backbone interact. energy: 0.564
local terms energy: -108.583857
where:
bonds (distance) C4'-P energy: -32.242
bonds (distance) P-C4' energy: -39.770
flat angles C4'-P-C4' energy: -26.569
flat angles P-C4'-P energy: -18.992
tors. eta vs tors. theta energy: 8.989
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: 4
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -668.178595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.178595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.178595 (E_RNA)
where:
Base-Base interactions energy: -441.878
where: short stacking energy: -195.861
Base-Backbone interact. energy: -0.446
local terms energy: -225.854371
where:
bonds (distance) C4'-P energy: -40.212
bonds (distance) P-C4' energy: -45.452
flat angles C4'-P-C4' energy: -44.807
flat angles P-C4'-P energy: -32.612
tors. eta vs tors. theta energy: -62.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -618.715484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.715484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.715484 (E_RNA)
where:
Base-Base interactions energy: -397.483
where: short stacking energy: -185.210
Base-Backbone interact. energy: 0.155
local terms energy: -221.387248
where:
bonds (distance) C4'-P energy: -40.833
bonds (distance) P-C4' energy: -46.256
flat angles C4'-P-C4' energy: -47.969
flat angles P-C4'-P energy: -29.844
tors. eta vs tors. theta energy: -56.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -632.980162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.980162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.980162 (E_RNA)
where:
Base-Base interactions energy: -435.560
where: short stacking energy: -186.778
Base-Backbone interact. energy: 1.003
local terms energy: -198.422904
where:
bonds (distance) C4'-P energy: -34.109
bonds (distance) P-C4' energy: -41.120
flat angles C4'-P-C4' energy: -40.264
flat angles P-C4'-P energy: -28.923
tors. eta vs tors. theta energy: -54.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -607.969138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.969138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.969138 (E_RNA)
where:
Base-Base interactions energy: -412.263
where: short stacking energy: -181.405
Base-Backbone interact. energy: -1.110
local terms energy: -194.595919
where:
bonds (distance) C4'-P energy: -34.687
bonds (distance) P-C4' energy: -41.888
flat angles C4'-P-C4' energy: -33.711
flat angles P-C4'-P energy: -33.365
tors. eta vs tors. theta energy: -50.944
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: 7
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -553.293113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.293113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.293113 (E_RNA)
where:
Base-Base interactions energy: -368.178
where: short stacking energy: -168.829
Base-Backbone interact. energy: -0.127
local terms energy: -184.987885
where:
bonds (distance) C4'-P energy: -31.659
bonds (distance) P-C4' energy: -29.664
flat angles C4'-P-C4' energy: -42.805
flat angles P-C4'-P energy: -33.798
tors. eta vs tors. theta energy: -47.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -501.009327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.009327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.009327 (E_RNA)
where:
Base-Base interactions energy: -332.140
where: short stacking energy: -135.477
Base-Backbone interact. energy: -1.069
local terms energy: -167.800540
where:
bonds (distance) C4'-P energy: -37.075
bonds (distance) P-C4' energy: -34.713
flat angles C4'-P-C4' energy: -36.477
flat angles P-C4'-P energy: -20.953
tors. eta vs tors. theta energy: -38.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -477.501037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.501037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.501037 (E_RNA)
where:
Base-Base interactions energy: -306.023
where: short stacking energy: -138.823
Base-Backbone interact. energy: -1.511
local terms energy: -169.966713
where:
bonds (distance) C4'-P energy: -38.142
bonds (distance) P-C4' energy: -40.386
flat angles C4'-P-C4' energy: -38.066
flat angles P-C4'-P energy: -21.162
tors. eta vs tors. theta energy: -32.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -188.092057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.092057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.092057 (E_RNA)
where:
Base-Base interactions energy: -84.623
where: short stacking energy: -65.040
Base-Backbone interact. energy: -0.769
local terms energy: -102.700322
where:
bonds (distance) C4'-P energy: -32.687
bonds (distance) P-C4' energy: -37.730
flat angles C4'-P-C4' energy: -25.438
flat angles P-C4'-P energy: -6.707
tors. eta vs tors. theta energy: -0.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -177.571719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.571719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.571719 (E_RNA)
where:
Base-Base interactions energy: -75.285
where: short stacking energy: -50.562
Base-Backbone interact. energy: -1.186
local terms energy: -101.100215
where:
bonds (distance) C4'-P energy: -33.939
bonds (distance) P-C4' energy: -32.708
flat angles C4'-P-C4' energy: -30.378
flat angles P-C4'-P energy: -11.988
tors. eta vs tors. theta energy: 7.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -171.844491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.844491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.844491 (E_RNA)
where:
Base-Base interactions energy: -51.881
where: short stacking energy: -47.557
Base-Backbone interact. energy: -0.753
local terms energy: -119.210678
where:
bonds (distance) C4'-P energy: -27.595
bonds (distance) P-C4' energy: -37.322
flat angles C4'-P-C4' energy: -32.393
flat angles P-C4'-P energy: -20.256
tors. eta vs tors. theta energy: -1.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -669.987412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.987412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.987412 (E_RNA)
where:
Base-Base interactions energy: -448.870
where: short stacking energy: -211.833
Base-Backbone interact. energy: -0.313
local terms energy: -220.803983
where:
bonds (distance) C4'-P energy: -47.697
bonds (distance) P-C4' energy: -39.203
flat angles C4'-P-C4' energy: -42.678
flat angles P-C4'-P energy: -22.393
tors. eta vs tors. theta energy: -68.833
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: 8
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -614.139626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.139626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.139626 (E_RNA)
where:
Base-Base interactions energy: -407.515
where: short stacking energy: -177.909
Base-Backbone interact. energy: 0.916
local terms energy: -207.540332
where:
bonds (distance) C4'-P energy: -45.918
bonds (distance) P-C4' energy: -35.760
flat angles C4'-P-C4' energy: -42.978
flat angles P-C4'-P energy: -25.280
tors. eta vs tors. theta energy: -57.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -634.298835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.298835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.298835 (E_RNA)
where:
Base-Base interactions energy: -421.559
where: short stacking energy: -196.167
Base-Backbone interact. energy: -0.086
local terms energy: -212.653252
where:
bonds (distance) C4'-P energy: -42.243
bonds (distance) P-C4' energy: -39.190
flat angles C4'-P-C4' energy: -39.890
flat angles P-C4'-P energy: -33.713
tors. eta vs tors. theta energy: -57.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -589.836796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.836796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.836796 (E_RNA)
where:
Base-Base interactions energy: -387.575
where: short stacking energy: -171.764
Base-Backbone interact. energy: -0.752
local terms energy: -201.509959
where:
bonds (distance) C4'-P energy: -34.737
bonds (distance) P-C4' energy: -43.794
flat angles C4'-P-C4' energy: -46.208
flat angles P-C4'-P energy: -27.761
tors. eta vs tors. theta energy: -49.009
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: 7
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -550.222296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.222296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.222296 (E_RNA)
where:
Base-Base interactions energy: -367.306
where: short stacking energy: -173.362
Base-Backbone interact. energy: -1.022
local terms energy: -181.893897
where:
bonds (distance) C4'-P energy: -34.184
bonds (distance) P-C4' energy: -34.432
flat angles C4'-P-C4' energy: -34.270
flat angles P-C4'-P energy: -30.400
tors. eta vs tors. theta energy: -48.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -494.293999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.293999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.293999 (E_RNA)
where:
Base-Base interactions energy: -322.866
where: short stacking energy: -135.501
Base-Backbone interact. energy: -0.499
local terms energy: -170.929090
where:
bonds (distance) C4'-P energy: -36.838
bonds (distance) P-C4' energy: -36.777
flat angles C4'-P-C4' energy: -41.067
flat angles P-C4'-P energy: -21.398
tors. eta vs tors. theta energy: -34.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -434.204842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.204842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.204842 (E_RNA)
where:
Base-Base interactions energy: -270.374
where: short stacking energy: -114.810
Base-Backbone interact. energy: -0.356
local terms energy: -163.474659
where:
bonds (distance) C4'-P energy: -33.138
bonds (distance) P-C4' energy: -40.090
flat angles C4'-P-C4' energy: -31.448
flat angles P-C4'-P energy: -21.953
tors. eta vs tors. theta energy: -36.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -191.491215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.491215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.491215 (E_RNA)
where:
Base-Base interactions energy: -63.826
where: short stacking energy: -44.724
Base-Backbone interact. energy: -0.520
local terms energy: -127.145028
where:
bonds (distance) C4'-P energy: -36.314
bonds (distance) P-C4' energy: -41.170
flat angles C4'-P-C4' energy: -30.140
flat angles P-C4'-P energy: -19.915
tors. eta vs tors. theta energy: 0.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -175.664930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.664930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.664930 (E_RNA)
where:
Base-Base interactions energy: -53.881
where: short stacking energy: -45.114
Base-Backbone interact. energy: -1.957
local terms energy: -119.826793
where:
bonds (distance) C4'-P energy: -38.305
bonds (distance) P-C4' energy: -37.517
flat angles C4'-P-C4' energy: -29.356
flat angles P-C4'-P energy: -22.631
tors. eta vs tors. theta energy: 7.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -172.435550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.435550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.435550 (E_RNA)
where:
Base-Base interactions energy: -70.815
where: short stacking energy: -50.791
Base-Backbone interact. energy: -0.188
local terms energy: -101.432288
where:
bonds (distance) C4'-P energy: -38.580
bonds (distance) P-C4' energy: -33.351
flat angles C4'-P-C4' energy: -30.505
flat angles P-C4'-P energy: -12.721
tors. eta vs tors. theta energy: 13.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -669.650545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.650545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.650545 (E_RNA)
where:
Base-Base interactions energy: -454.023
where: short stacking energy: -212.923
Base-Backbone interact. energy: -0.573
local terms energy: -215.054292
where:
bonds (distance) C4'-P energy: -34.341
bonds (distance) P-C4' energy: -39.393
flat angles C4'-P-C4' energy: -43.185
flat angles P-C4'-P energy: -32.615
tors. eta vs tors. theta energy: -65.521
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: 2, replica: 2
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -632.851673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.851673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.851673 (E_RNA)
where:
Base-Base interactions energy: -416.340
where: short stacking energy: -192.639
Base-Backbone interact. energy: -0.122
local terms energy: -216.389392
where:
bonds (distance) C4'-P energy: -32.845
bonds (distance) P-C4' energy: -38.538
flat angles C4'-P-C4' energy: -47.753
flat angles P-C4'-P energy: -34.544
tors. eta vs tors. theta energy: -62.710
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: 8
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -590.288189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.288189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.288189 (E_RNA)
where:
Base-Base interactions energy: -393.339
where: short stacking energy: -193.066
Base-Backbone interact. energy: -1.618
local terms energy: -195.331166
where:
bonds (distance) C4'-P energy: -40.653
bonds (distance) P-C4' energy: -36.482
flat angles C4'-P-C4' energy: -41.026
flat angles P-C4'-P energy: -21.668
tors. eta vs tors. theta energy: -55.502
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: 4, replica: 9
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -583.062526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.062526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.062526 (E_RNA)
where:
Base-Base interactions energy: -388.056
where: short stacking energy: -184.310
Base-Backbone interact. energy: -0.342
local terms energy: -194.664797
where:
bonds (distance) C4'-P energy: -37.754
bonds (distance) P-C4' energy: -35.394
flat angles C4'-P-C4' energy: -37.114
flat angles P-C4'-P energy: -32.566
tors. eta vs tors. theta energy: -51.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -566.263067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.263067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.263067 (E_RNA)
where:
Base-Base interactions energy: -380.574
where: short stacking energy: -177.596
Base-Backbone interact. energy: -2.587
local terms energy: -183.101722
where:
bonds (distance) C4'-P energy: -35.567
bonds (distance) P-C4' energy: -33.565
flat angles C4'-P-C4' energy: -37.292
flat angles P-C4'-P energy: -23.015
tors. eta vs tors. theta energy: -53.663
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: 6
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -452.388551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.388551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.388551 (E_RNA)
where:
Base-Base interactions energy: -285.247
where: short stacking energy: -135.989
Base-Backbone interact. energy: -1.132
local terms energy: -166.009810
where:
bonds (distance) C4'-P energy: -26.753
bonds (distance) P-C4' energy: -36.309
flat angles C4'-P-C4' energy: -35.539
flat angles P-C4'-P energy: -28.966
tors. eta vs tors. theta energy: -38.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -478.412473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.412473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.412473 (E_RNA)
where:
Base-Base interactions energy: -319.262
where: short stacking energy: -130.500
Base-Backbone interact. energy: -1.040
local terms energy: -158.109775
where:
bonds (distance) C4'-P energy: -27.543
bonds (distance) P-C4' energy: -37.302
flat angles C4'-P-C4' energy: -40.246
flat angles P-C4'-P energy: -17.834
tors. eta vs tors. theta energy: -35.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -200.653101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.653101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.653101 (E_RNA)
where:
Base-Base interactions energy: -74.569
where: short stacking energy: -51.063
Base-Backbone interact. energy: 1.059
local terms energy: -127.143168
where:
bonds (distance) C4'-P energy: -38.398
bonds (distance) P-C4' energy: -37.590
flat angles C4'-P-C4' energy: -37.301
flat angles P-C4'-P energy: -20.495
tors. eta vs tors. theta energy: 6.641
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: 5
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -183.768593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.768593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.768593 (E_RNA)
where:
Base-Base interactions energy: -61.149
where: short stacking energy: -55.701
Base-Backbone interact. energy: -0.344
local terms energy: -122.275731
where:
bonds (distance) C4'-P energy: -38.969
bonds (distance) P-C4' energy: -32.962
flat angles C4'-P-C4' energy: -31.380
flat angles P-C4'-P energy: -14.831
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: 10, replica: 10
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -180.397962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.397962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.397962 (E_RNA)
where:
Base-Base interactions energy: -72.727
where: short stacking energy: -52.634
Base-Backbone interact. energy: 0.834
local terms energy: -108.505002
where:
bonds (distance) C4'-P energy: -25.998
bonds (distance) P-C4' energy: -40.838
flat angles C4'-P-C4' energy: -28.429
flat angles P-C4'-P energy: -17.314
tors. eta vs tors. theta energy: 4.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -678.645509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.645509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.645509 (E_RNA)
where:
Base-Base interactions energy: -455.977
where: short stacking energy: -207.538
Base-Backbone interact. energy: -0.625
local terms energy: -222.042854
where:
bonds (distance) C4'-P energy: -39.003
bonds (distance) P-C4' energy: -41.006
flat angles C4'-P-C4' energy: -48.076
flat angles P-C4'-P energy: -30.925
tors. eta vs tors. theta energy: -63.032
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: 2
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -630.327831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.327831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.327831 (E_RNA)
where:
Base-Base interactions energy: -427.705
where: short stacking energy: -182.416
Base-Backbone interact. energy: -0.184
local terms energy: -202.439730
where:
bonds (distance) C4'-P energy: -39.508
bonds (distance) P-C4' energy: -41.678
flat angles C4'-P-C4' energy: -38.281
flat angles P-C4'-P energy: -26.645
tors. eta vs tors. theta energy: -56.328
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: 346
Temperature: 1.000000
Total energy: -599.778164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.778164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.778164 (E_RNA)
where:
Base-Base interactions energy: -391.902
where: short stacking energy: -185.541
Base-Backbone interact. energy: -0.042
local terms energy: -207.834428
where:
bonds (distance) C4'-P energy: -37.048
bonds (distance) P-C4' energy: -36.653
flat angles C4'-P-C4' energy: -43.895
flat angles P-C4'-P energy: -29.962
tors. eta vs tors. theta energy: -60.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -595.896933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.896933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.896933 (E_RNA)
where:
Base-Base interactions energy: -405.813
where: short stacking energy: -188.040
Base-Backbone interact. energy: -0.685
local terms energy: -189.398377
where:
bonds (distance) C4'-P energy: -30.131
bonds (distance) P-C4' energy: -37.704
flat angles C4'-P-C4' energy: -42.495
flat angles P-C4'-P energy: -23.290
tors. eta vs tors. theta energy: -55.778
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: 5, replica: 7
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -556.201675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.201675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.201675 (E_RNA)
where:
Base-Base interactions energy: -370.644
where: short stacking energy: -179.006
Base-Backbone interact. energy: 0.614
local terms energy: -186.171498
where:
bonds (distance) C4'-P energy: -31.755
bonds (distance) P-C4' energy: -34.440
flat angles C4'-P-C4' energy: -45.853
flat angles P-C4'-P energy: -21.222
tors. eta vs tors. theta energy: -52.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -461.715447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.715447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.715447 (E_RNA)
where:
Base-Base interactions energy: -283.422
where: short stacking energy: -124.096
Base-Backbone interact. energy: 2.230
local terms energy: -180.522480
where:
bonds (distance) C4'-P energy: -38.978
bonds (distance) P-C4' energy: -35.105
flat angles C4'-P-C4' energy: -45.897
flat angles P-C4'-P energy: -24.693
tors. eta vs tors. theta energy: -35.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -479.845468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.845468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.845468 (E_RNA)
where:
Base-Base interactions energy: -307.991
where: short stacking energy: -143.225
Base-Backbone interact. energy: 1.363
local terms energy: -173.217301
where:
bonds (distance) C4'-P energy: -36.360
bonds (distance) P-C4' energy: -32.398
flat angles C4'-P-C4' energy: -41.031
flat angles P-C4'-P energy: -27.209
tors. eta vs tors. theta energy: -36.219
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: 8, replica: 3
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -206.936678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.936678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.936678 (E_RNA)
where:
Base-Base interactions energy: -74.539
where: short stacking energy: -71.230
Base-Backbone interact. energy: 1.544
local terms energy: -133.941939
where:
bonds (distance) C4'-P energy: -30.165
bonds (distance) P-C4' energy: -37.522
flat angles C4'-P-C4' energy: -40.714
flat angles P-C4'-P energy: -19.651
tors. eta vs tors. theta energy: -5.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -164.016472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.016472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.016472 (E_RNA)
where:
Base-Base interactions energy: -39.225
where: short stacking energy: -36.571
Base-Backbone interact. energy: 0.228
local terms energy: -125.019237
where:
bonds (distance) C4'-P energy: -38.495
bonds (distance) P-C4' energy: -41.651
flat angles C4'-P-C4' energy: -26.269
flat angles P-C4'-P energy: -20.591
tors. eta vs tors. theta energy: 1.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -179.379432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.379432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.379432 (E_RNA)
where:
Base-Base interactions energy: -64.758
where: short stacking energy: -58.782
Base-Backbone interact. energy: 0.622
local terms energy: -115.243430
where:
bonds (distance) C4'-P energy: -36.271
bonds (distance) P-C4' energy: -30.033
flat angles C4'-P-C4' energy: -29.182
flat angles P-C4'-P energy: -22.737
tors. eta vs tors. theta energy: 2.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -655.839255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.839255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.839255 (E_RNA)
where:
Base-Base interactions energy: -439.911
where: short stacking energy: -204.279
Base-Backbone interact. energy: -0.233
local terms energy: -215.695177
where:
bonds (distance) C4'-P energy: -30.525
bonds (distance) P-C4' energy: -41.430
flat angles C4'-P-C4' energy: -47.629
flat angles P-C4'-P energy: -32.992
tors. eta vs tors. theta energy: -63.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -607.244025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.244025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.244025 (E_RNA)
where:
Base-Base interactions energy: -401.555
where: short stacking energy: -192.096
Base-Backbone interact. energy: -0.305
local terms energy: -205.383767
where:
bonds (distance) C4'-P energy: -42.841
bonds (distance) P-C4' energy: -36.964
flat angles C4'-P-C4' energy: -41.627
flat angles P-C4'-P energy: -27.212
tors. eta vs tors. theta energy: -56.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -627.925068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.925068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.925068 (E_RNA)
where:
Base-Base interactions energy: -424.510
where: short stacking energy: -191.822
Base-Backbone interact. energy: 2.306
local terms energy: -205.721111
where:
bonds (distance) C4'-P energy: -35.482
bonds (distance) P-C4' energy: -35.197
flat angles C4'-P-C4' energy: -44.900
flat angles P-C4'-P energy: -30.376
tors. eta vs tors. theta energy: -59.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -580.835686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.835686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.835686 (E_RNA)
where:
Base-Base interactions energy: -372.677
where: short stacking energy: -174.886
Base-Backbone interact. energy: -0.037
local terms energy: -208.121425
where:
bonds (distance) C4'-P energy: -34.845
bonds (distance) P-C4' energy: -41.312
flat angles C4'-P-C4' energy: -48.997
flat angles P-C4'-P energy: -25.271
tors. eta vs tors. theta energy: -57.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -565.444189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.444189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.444189 (E_RNA)
where:
Base-Base interactions energy: -359.039
where: short stacking energy: -164.129
Base-Backbone interact. energy: -0.493
local terms energy: -205.911694
where:
bonds (distance) C4'-P energy: -36.473
bonds (distance) P-C4' energy: -38.130
flat angles C4'-P-C4' energy: -43.034
flat angles P-C4'-P energy: -30.079
tors. eta vs tors. theta energy: -58.196
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: 347
Temperature: 1.150000
Total energy: -446.020012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.020012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.020012 (E_RNA)
where:
Base-Base interactions energy: -294.741
where: short stacking energy: -130.973
Base-Backbone interact. energy: 0.185
local terms energy: -151.464840
where:
bonds (distance) C4'-P energy: -28.058
bonds (distance) P-C4' energy: -33.045
flat angles C4'-P-C4' energy: -38.975
flat angles P-C4'-P energy: -20.185
tors. eta vs tors. theta energy: -31.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -416.220674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.220674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.220674 (E_RNA)
where:
Base-Base interactions energy: -259.947
where: short stacking energy: -110.476
Base-Backbone interact. energy: -0.543
local terms energy: -155.731062
where:
bonds (distance) C4'-P energy: -43.932
bonds (distance) P-C4' energy: -37.821
flat angles C4'-P-C4' energy: -36.881
flat angles P-C4'-P energy: -26.318
tors. eta vs tors. theta energy: -10.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -194.950559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.950559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.950559 (E_RNA)
where:
Base-Base interactions energy: -80.102
where: short stacking energy: -60.002
Base-Backbone interact. energy: -0.652
local terms energy: -114.196058
where:
bonds (distance) C4'-P energy: -26.343
bonds (distance) P-C4' energy: -33.957
flat angles C4'-P-C4' energy: -40.904
flat angles P-C4'-P energy: -10.219
tors. eta vs tors. theta energy: -2.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -176.889522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.889522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.889522 (E_RNA)
where:
Base-Base interactions energy: -54.813
where: short stacking energy: -45.020
Base-Backbone interact. energy: -0.276
local terms energy: -121.801070
where:
bonds (distance) C4'-P energy: -34.281
bonds (distance) P-C4' energy: -33.383
flat angles C4'-P-C4' energy: -38.175
flat angles P-C4'-P energy: -17.449
tors. eta vs tors. theta energy: 1.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -170.528923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.528923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.528923 (E_RNA)
where:
Base-Base interactions energy: -67.201
where: short stacking energy: -47.780
Base-Backbone interact. energy: -1.004
local terms energy: -102.324326
where:
bonds (distance) C4'-P energy: -27.554
bonds (distance) P-C4' energy: -34.167
flat angles C4'-P-C4' energy: -34.112
flat angles P-C4'-P energy: -11.687
tors. eta vs tors. theta energy: 5.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -674.264061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.264061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.264061 (E_RNA)
where:
Base-Base interactions energy: -463.097
where: short stacking energy: -209.787
Base-Backbone interact. energy: -1.021
local terms energy: -210.146392
where:
bonds (distance) C4'-P energy: -38.696
bonds (distance) P-C4' energy: -33.563
flat angles C4'-P-C4' energy: -47.055
flat angles P-C4'-P energy: -26.561
tors. eta vs tors. theta energy: -64.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -619.422730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.422730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.422730 (E_RNA)
where:
Base-Base interactions energy: -400.809
where: short stacking energy: -191.377
Base-Backbone interact. energy: -0.086
local terms energy: -218.527902
where:
bonds (distance) C4'-P energy: -40.978
bonds (distance) P-C4' energy: -38.194
flat angles C4'-P-C4' energy: -46.638
flat angles P-C4'-P energy: -28.944
tors. eta vs tors. theta energy: -63.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -601.618167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.618167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.618167 (E_RNA)
where:
Base-Base interactions energy: -385.800
where: short stacking energy: -183.517
Base-Backbone interact. energy: 0.078
local terms energy: -215.896783
where:
bonds (distance) C4'-P energy: -42.468
bonds (distance) P-C4' energy: -40.499
flat angles C4'-P-C4' energy: -43.598
flat angles P-C4'-P energy: -29.751
tors. eta vs tors. theta energy: -59.580
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: 4, replica: 2
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -607.203373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.203373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.203373 (E_RNA)
where:
Base-Base interactions energy: -411.534
where: short stacking energy: -176.679
Base-Backbone interact. energy: -0.587
local terms energy: -195.081674
where:
bonds (distance) C4'-P energy: -32.003
bonds (distance) P-C4' energy: -32.760
flat angles C4'-P-C4' energy: -39.663
flat angles P-C4'-P energy: -32.728
tors. eta vs tors. theta energy: -57.927
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: 9
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -567.765350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.765350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.765350 (E_RNA)
where:
Base-Base interactions energy: -371.234
where: short stacking energy: -170.668
Base-Backbone interact. energy: -1.276
local terms energy: -195.255514
where:
bonds (distance) C4'-P energy: -37.127
bonds (distance) P-C4' energy: -39.976
flat angles C4'-P-C4' energy: -44.180
flat angles P-C4'-P energy: -26.166
tors. eta vs tors. theta energy: -47.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -501.490444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.490444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.490444 (E_RNA)
where:
Base-Base interactions energy: -322.312
where: short stacking energy: -150.414
Base-Backbone interact. energy: -0.188
local terms energy: -178.990568
where:
bonds (distance) C4'-P energy: -31.378
bonds (distance) P-C4' energy: -35.197
flat angles C4'-P-C4' energy: -36.664
flat angles P-C4'-P energy: -27.171
tors. eta vs tors. theta energy: -48.580
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: 1
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -416.676910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.676910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.676910 (E_RNA)
where:
Base-Base interactions energy: -261.964
where: short stacking energy: -108.268
Base-Backbone interact. energy: -0.916
local terms energy: -153.797627
where:
bonds (distance) C4'-P energy: -29.882
bonds (distance) P-C4' energy: -38.830
flat angles C4'-P-C4' energy: -34.649
flat angles P-C4'-P energy: -21.839
tors. eta vs tors. theta energy: -28.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -198.798920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.798920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.798920 (E_RNA)
where:
Base-Base interactions energy: -69.767
where: short stacking energy: -56.331
Base-Backbone interact. energy: -0.818
local terms energy: -128.214617
where:
bonds (distance) C4'-P energy: -38.315
bonds (distance) P-C4' energy: -36.818
flat angles C4'-P-C4' energy: -34.542
flat angles P-C4'-P energy: -20.842
tors. eta vs tors. theta energy: 2.301
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: 5
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -196.202689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.202689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.202689 (E_RNA)
where:
Base-Base interactions energy: -57.119
where: short stacking energy: -49.660
Base-Backbone interact. energy: -0.054
local terms energy: -139.028973
where:
bonds (distance) C4'-P energy: -34.982
bonds (distance) P-C4' energy: -43.644
flat angles C4'-P-C4' energy: -38.215
flat angles P-C4'-P energy: -22.136
tors. eta vs tors. theta energy: -0.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -188.284824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.284824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.284824 (E_RNA)
where:
Base-Base interactions energy: -76.885
where: short stacking energy: -51.030
Base-Backbone interact. energy: -0.438
local terms energy: -110.961885
where:
bonds (distance) C4'-P energy: -25.707
bonds (distance) P-C4' energy: -27.512
flat angles C4'-P-C4' energy: -31.370
flat angles P-C4'-P energy: -22.741
tors. eta vs tors. theta energy: -3.632
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: 1, replica: 4
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -660.918356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.918356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.918356 (E_RNA)
where:
Base-Base interactions energy: -459.022
where: short stacking energy: -217.071
Base-Backbone interact. energy: -0.329
local terms energy: -201.567408
where:
bonds (distance) C4'-P energy: -38.680
bonds (distance) P-C4' energy: -34.815
flat angles C4'-P-C4' energy: -41.399
flat angles P-C4'-P energy: -22.088
tors. eta vs tors. theta energy: -64.585
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: 349
Temperature: 0.950000
Total energy: -616.651929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.651929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.651929 (E_RNA)
where:
Base-Base interactions energy: -397.856
where: short stacking energy: -184.578
Base-Backbone interact. energy: -1.141
local terms energy: -217.654861
where:
bonds (distance) C4'-P energy: -40.504
bonds (distance) P-C4' energy: -36.255
flat angles C4'-P-C4' energy: -45.015
flat angles P-C4'-P energy: -34.503
tors. eta vs tors. theta energy: -61.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -594.865492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.865492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.865492 (E_RNA)
where:
Base-Base interactions energy: -398.258
where: short stacking energy: -175.653
Base-Backbone interact. energy: 0.950
local terms energy: -197.557480
where:
bonds (distance) C4'-P energy: -35.453
bonds (distance) P-C4' energy: -38.219
flat angles C4'-P-C4' energy: -43.886
flat angles P-C4'-P energy: -29.620
tors. eta vs tors. theta energy: -50.379
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: 2
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -597.969524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.969524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.969524 (E_RNA)
where:
Base-Base interactions energy: -407.340
where: short stacking energy: -177.055
Base-Backbone interact. energy: -0.531
local terms energy: -190.098245
where:
bonds (distance) C4'-P energy: -33.371
bonds (distance) P-C4' energy: -39.834
flat angles C4'-P-C4' energy: -40.775
flat angles P-C4'-P energy: -27.386
tors. eta vs tors. theta energy: -48.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -585.516221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.516221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.516221 (E_RNA)
where:
Base-Base interactions energy: -375.866
where: short stacking energy: -184.009
Base-Backbone interact. energy: -0.211
local terms energy: -209.439066
where:
bonds (distance) C4'-P energy: -38.439
bonds (distance) P-C4' energy: -40.601
flat angles C4'-P-C4' energy: -40.953
flat angles P-C4'-P energy: -29.757
tors. eta vs tors. theta energy: -59.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -434.123818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.123818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.123818 (E_RNA)
where:
Base-Base interactions energy: -281.237
where: short stacking energy: -108.515
Base-Backbone interact. energy: -1.107
local terms energy: -151.779420
where:
bonds (distance) C4'-P energy: -31.903
bonds (distance) P-C4' energy: -34.673
flat angles C4'-P-C4' energy: -36.827
flat angles P-C4'-P energy: -25.331
tors. eta vs tors. theta energy: -23.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -485.954701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.954701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.954701 (E_RNA)
where:
Base-Base interactions energy: -329.632
where: short stacking energy: -156.881
Base-Backbone interact. energy: -1.660
local terms energy: -154.663192
where:
bonds (distance) C4'-P energy: -28.607
bonds (distance) P-C4' energy: -32.322
flat angles C4'-P-C4' energy: -29.369
flat angles P-C4'-P energy: -23.851
tors. eta vs tors. theta energy: -40.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -188.530676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.530676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.530676 (E_RNA)
where:
Base-Base interactions energy: -62.475
where: short stacking energy: -55.309
Base-Backbone interact. energy: -0.454
local terms energy: -125.601668
where:
bonds (distance) C4'-P energy: -30.638
bonds (distance) P-C4' energy: -40.920
flat angles C4'-P-C4' energy: -33.121
flat angles P-C4'-P energy: -14.476
tors. eta vs tors. theta energy: -6.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -180.707668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.707668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.707668 (E_RNA)
where:
Base-Base interactions energy: -54.401
where: short stacking energy: -39.447
Base-Backbone interact. energy: -2.263
local terms energy: -124.043906
where:
bonds (distance) C4'-P energy: -41.094
bonds (distance) P-C4' energy: -42.061
flat angles C4'-P-C4' energy: -33.634
flat angles P-C4'-P energy: -18.614
tors. eta vs tors. theta energy: 11.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -185.750769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.750769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.750769 (E_RNA)
where:
Base-Base interactions energy: -71.219
where: short stacking energy: -45.479
Base-Backbone interact. energy: -0.627
local terms energy: -113.904410
where:
bonds (distance) C4'-P energy: -35.403
bonds (distance) P-C4' energy: -40.004
flat angles C4'-P-C4' energy: -19.165
flat angles P-C4'-P energy: -14.249
tors. eta vs tors. theta energy: -5.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -655.676768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.676768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.676768 (E_RNA)
where:
Base-Base interactions energy: -456.800
where: short stacking energy: -204.976
Base-Backbone interact. energy: -0.250
local terms energy: -198.626647
where:
bonds (distance) C4'-P energy: -33.748
bonds (distance) P-C4' energy: -33.572
flat angles C4'-P-C4' energy: -40.865
flat angles P-C4'-P energy: -27.710
tors. eta vs tors. theta energy: -62.732
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: 8
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -610.506533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.506533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.506533 (E_RNA)
where:
Base-Base interactions energy: -397.354
where: short stacking energy: -193.345
Base-Backbone interact. energy: -0.821
local terms energy: -212.331879
where:
bonds (distance) C4'-P energy: -41.140
bonds (distance) P-C4' energy: -42.279
flat angles C4'-P-C4' energy: -38.148
flat angles P-C4'-P energy: -30.182
tors. eta vs tors. theta energy: -60.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -612.239127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.239127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.239127 (E_RNA)
where:
Base-Base interactions energy: -403.558
where: short stacking energy: -172.428
Base-Backbone interact. energy: -0.443
local terms energy: -208.238823
where:
bonds (distance) C4'-P energy: -38.733
bonds (distance) P-C4' energy: -43.661
flat angles C4'-P-C4' energy: -32.515
flat angles P-C4'-P energy: -34.556
tors. eta vs tors. theta energy: -58.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -593.322912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.322912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.322912 (E_RNA)
where:
Base-Base interactions energy: -394.052
where: short stacking energy: -171.439
Base-Backbone interact. energy: -0.405
local terms energy: -198.865650
where:
bonds (distance) C4'-P energy: -33.546
bonds (distance) P-C4' energy: -39.784
flat angles C4'-P-C4' energy: -41.902
flat angles P-C4'-P energy: -32.409
tors. eta vs tors. theta energy: -51.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -555.376253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.376253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.376253 (E_RNA)
where:
Base-Base interactions energy: -356.133
where: short stacking energy: -170.424
Base-Backbone interact. energy: -0.547
local terms energy: -198.696822
where:
bonds (distance) C4'-P energy: -38.002
bonds (distance) P-C4' energy: -41.802
flat angles C4'-P-C4' energy: -38.232
flat angles P-C4'-P energy: -31.275
tors. eta vs tors. theta energy: -49.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -420.129836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.129836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.129836 (E_RNA)
where:
Base-Base interactions energy: -261.082
where: short stacking energy: -116.389
Base-Backbone interact. energy: 1.618
local terms energy: -160.665721
where:
bonds (distance) C4'-P energy: -37.923
bonds (distance) P-C4' energy: -36.188
flat angles C4'-P-C4' energy: -39.918
flat angles P-C4'-P energy: -24.324
tors. eta vs tors. theta energy: -22.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -497.345674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.345674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.345674 (E_RNA)
where:
Base-Base interactions energy: -310.846
where: short stacking energy: -136.147
Base-Backbone interact. energy: 0.324
local terms energy: -186.823324
where:
bonds (distance) C4'-P energy: -31.175
bonds (distance) P-C4' energy: -39.662
flat angles C4'-P-C4' energy: -39.600
flat angles P-C4'-P energy: -36.323
tors. eta vs tors. theta energy: -40.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -181.063484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.063484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.063484 (E_RNA)
where:
Base-Base interactions energy: -53.412
where: short stacking energy: -42.338
Base-Backbone interact. energy: 0.469
local terms energy: -128.120771
where:
bonds (distance) C4'-P energy: -33.920
bonds (distance) P-C4' energy: -38.592
flat angles C4'-P-C4' energy: -38.974
flat angles P-C4'-P energy: -21.473
tors. eta vs tors. theta energy: 4.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -178.824211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.824211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.824211 (E_RNA)
where:
Base-Base interactions energy: -60.881
where: short stacking energy: -57.659
Base-Backbone interact. energy: -0.634
local terms energy: -117.309518
where:
bonds (distance) C4'-P energy: -33.141
bonds (distance) P-C4' energy: -26.230
flat angles C4'-P-C4' energy: -33.465
flat angles P-C4'-P energy: -25.549
tors. eta vs tors. theta energy: 1.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -193.658255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.658255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.658255 (E_RNA)
where:
Base-Base interactions energy: -71.005
where: short stacking energy: -59.302
Base-Backbone interact. energy: -0.559
local terms energy: -122.094252
where:
bonds (distance) C4'-P energy: -27.822
bonds (distance) P-C4' energy: -37.548
flat angles C4'-P-C4' energy: -28.794
flat angles P-C4'-P energy: -19.610
tors. eta vs tors. theta energy: -8.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -664.467815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.467815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.467815 (E_RNA)
where:
Base-Base interactions energy: -445.935
where: short stacking energy: -200.153
Base-Backbone interact. energy: -0.871
local terms energy: -217.662265
where:
bonds (distance) C4'-P energy: -40.855
bonds (distance) P-C4' energy: -40.788
flat angles C4'-P-C4' energy: -40.987
flat angles P-C4'-P energy: -31.069
tors. eta vs tors. theta energy: -63.964
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: 2
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -620.633420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.633420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.633420 (E_RNA)
where:
Base-Base interactions energy: -417.749
where: short stacking energy: -172.285
Base-Backbone interact. energy: -1.711
local terms energy: -201.173674
where:
bonds (distance) C4'-P energy: -43.307
bonds (distance) P-C4' energy: -39.672
flat angles C4'-P-C4' energy: -36.599
flat angles P-C4'-P energy: -29.193
tors. eta vs tors. theta energy: -52.404
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: 8
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -610.786684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.786684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.786684 (E_RNA)
where:
Base-Base interactions energy: -394.793
where: short stacking energy: -191.609
Base-Backbone interact. energy: -0.734
local terms energy: -215.259745
where:
bonds (distance) C4'-P energy: -37.414
bonds (distance) P-C4' energy: -45.099
flat angles C4'-P-C4' energy: -40.412
flat angles P-C4'-P energy: -33.545
tors. eta vs tors. theta energy: -58.790
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: 7
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -577.128496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.128496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.128496 (E_RNA)
where:
Base-Base interactions energy: -377.705
where: short stacking energy: -176.786
Base-Backbone interact. energy: -0.227
local terms energy: -199.196532
where:
bonds (distance) C4'-P energy: -39.505
bonds (distance) P-C4' energy: -41.863
flat angles C4'-P-C4' energy: -39.357
flat angles P-C4'-P energy: -23.674
tors. eta vs tors. theta energy: -54.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -537.482652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.482652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.482652 (E_RNA)
where:
Base-Base interactions energy: -354.012
where: short stacking energy: -161.322
Base-Backbone interact. energy: -1.024
local terms energy: -182.446128
where:
bonds (distance) C4'-P energy: -37.179
bonds (distance) P-C4' energy: -29.407
flat angles C4'-P-C4' energy: -42.560
flat angles P-C4'-P energy: -25.278
tors. eta vs tors. theta energy: -48.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -480.823127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.823127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.823127 (E_RNA)
where:
Base-Base interactions energy: -311.985
where: short stacking energy: -147.368
Base-Backbone interact. energy: -0.536
local terms energy: -168.302071
where:
bonds (distance) C4'-P energy: -36.808
bonds (distance) P-C4' energy: -30.546
flat angles C4'-P-C4' energy: -34.971
flat angles P-C4'-P energy: -27.156
tors. eta vs tors. theta energy: -38.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -411.578778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.578778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.578778 (E_RNA)
where:
Base-Base interactions energy: -258.617
where: short stacking energy: -100.969
Base-Backbone interact. energy: -0.968
local terms energy: -151.993919
where:
bonds (distance) C4'-P energy: -45.066
bonds (distance) P-C4' energy: -39.810
flat angles C4'-P-C4' energy: -28.364
flat angles P-C4'-P energy: -23.660
tors. eta vs tors. theta energy: -15.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -196.942925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.942925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.942925 (E_RNA)
where:
Base-Base interactions energy: -81.914
where: short stacking energy: -63.010
Base-Backbone interact. energy: -1.331
local terms energy: -113.697734
where:
bonds (distance) C4'-P energy: -27.882
bonds (distance) P-C4' energy: -41.738
flat angles C4'-P-C4' energy: -30.304
flat angles P-C4'-P energy: -10.413
tors. eta vs tors. theta energy: -3.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -175.120855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.120855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.120855 (E_RNA)
where:
Base-Base interactions energy: -66.097
where: short stacking energy: -44.766
Base-Backbone interact. energy: -0.067
local terms energy: -108.956723
where:
bonds (distance) C4'-P energy: -42.934
bonds (distance) P-C4' energy: -30.748
flat angles C4'-P-C4' energy: -24.681
flat angles P-C4'-P energy: -16.448
tors. eta vs tors. theta energy: 5.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -166.540772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.540772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.540772 (E_RNA)
where:
Base-Base interactions energy: -57.022
where: short stacking energy: -40.730
Base-Backbone interact. energy: 0.344
local terms energy: -109.863564
where:
bonds (distance) C4'-P energy: -31.240
bonds (distance) P-C4' energy: -39.663
flat angles C4'-P-C4' energy: -16.162
flat angles P-C4'-P energy: -26.845
tors. eta vs tors. theta energy: 4.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -644.777631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.777631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.777631 (E_RNA)
where:
Base-Base interactions energy: -432.849
where: short stacking energy: -184.813
Base-Backbone interact. energy: -0.744
local terms energy: -211.185111
where:
bonds (distance) C4'-P energy: -35.978
bonds (distance) P-C4' energy: -40.169
flat angles C4'-P-C4' energy: -46.185
flat angles P-C4'-P energy: -30.607
tors. eta vs tors. theta energy: -58.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -652.606173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.606173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.606173 (E_RNA)
where:
Base-Base interactions energy: -443.450
where: short stacking energy: -199.325
Base-Backbone interact. energy: -0.388
local terms energy: -208.768068
where:
bonds (distance) C4'-P energy: -35.170
bonds (distance) P-C4' energy: -41.987
flat angles C4'-P-C4' energy: -45.192
flat angles P-C4'-P energy: -29.720
tors. eta vs tors. theta energy: -56.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -597.396217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.396217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.396217 (E_RNA)
where:
Base-Base interactions energy: -387.585
where: short stacking energy: -183.319
Base-Backbone interact. energy: 0.165
local terms energy: -209.976116
where:
bonds (distance) C4'-P energy: -40.336
bonds (distance) P-C4' energy: -38.043
flat angles C4'-P-C4' energy: -43.928
flat angles P-C4'-P energy: -31.339
tors. eta vs tors. theta energy: -56.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -567.006165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.006165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.006165 (E_RNA)
where:
Base-Base interactions energy: -385.256
where: short stacking energy: -169.925
Base-Backbone interact. energy: -0.497
local terms energy: -181.252373
where:
bonds (distance) C4'-P energy: -39.033
bonds (distance) P-C4' energy: -33.778
flat angles C4'-P-C4' energy: -37.043
flat angles P-C4'-P energy: -20.675
tors. eta vs tors. theta energy: -50.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -559.240775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.240775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.240775 (E_RNA)
where:
Base-Base interactions energy: -361.324
where: short stacking energy: -169.156
Base-Backbone interact. energy: -0.931
local terms energy: -196.986169
where:
bonds (distance) C4'-P energy: -37.174
bonds (distance) P-C4' energy: -38.778
flat angles C4'-P-C4' energy: -37.982
flat angles P-C4'-P energy: -29.299
tors. eta vs tors. theta energy: -53.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -455.014511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.014511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.014511 (E_RNA)
where:
Base-Base interactions energy: -288.134
where: short stacking energy: -124.069
Base-Backbone interact. energy: -0.525
local terms energy: -166.355702
where:
bonds (distance) C4'-P energy: -34.495
bonds (distance) P-C4' energy: -40.568
flat angles C4'-P-C4' energy: -35.492
flat angles P-C4'-P energy: -21.338
tors. eta vs tors. theta energy: -34.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -376.536497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.536497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.536497 (E_RNA)
where:
Base-Base interactions energy: -224.124
where: short stacking energy: -110.728
Base-Backbone interact. energy: -1.120
local terms energy: -151.292692
where:
bonds (distance) C4'-P energy: -29.632
bonds (distance) P-C4' energy: -39.686
flat angles C4'-P-C4' energy: -36.521
flat angles P-C4'-P energy: -18.018
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: 8, replica: 10
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -216.445955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.445955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.445955 (E_RNA)
where:
Base-Base interactions energy: -94.055
where: short stacking energy: -68.992
Base-Backbone interact. energy: -0.279
local terms energy: -122.112172
where:
bonds (distance) C4'-P energy: -34.031
bonds (distance) P-C4' energy: -30.282
flat angles C4'-P-C4' energy: -29.184
flat angles P-C4'-P energy: -18.945
tors. eta vs tors. theta energy: -9.670
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: 3
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -179.996225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.996225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.996225 (E_RNA)
where:
Base-Base interactions energy: -63.338
where: short stacking energy: -58.706
Base-Backbone interact. energy: -0.828
local terms energy: -115.829900
where:
bonds (distance) C4'-P energy: -40.516
bonds (distance) P-C4' energy: -32.472
flat angles C4'-P-C4' energy: -21.729
flat angles P-C4'-P energy: -24.672
tors. eta vs tors. theta energy: 3.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -174.991884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.991884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.991884 (E_RNA)
where:
Base-Base interactions energy: -50.934
where: short stacking energy: -47.380
Base-Backbone interact. energy: -0.313
local terms energy: -123.745379
where:
bonds (distance) C4'-P energy: -36.992
bonds (distance) P-C4' energy: -38.043
flat angles C4'-P-C4' energy: -32.925
flat angles P-C4'-P energy: -15.145
tors. eta vs tors. theta energy: -0.641
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: 2
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -656.730870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.730870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.730870 (E_RNA)
where:
Base-Base interactions energy: -435.939
where: short stacking energy: -201.606
Base-Backbone interact. energy: -0.486
local terms energy: -220.305881
where:
bonds (distance) C4'-P energy: -37.714
bonds (distance) P-C4' energy: -40.172
flat angles C4'-P-C4' energy: -43.926
flat angles P-C4'-P energy: -33.158
tors. eta vs tors. theta energy: -65.336
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: 4
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -643.822917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.822917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.822917 (E_RNA)
where:
Base-Base interactions energy: -432.273
where: short stacking energy: -188.207
Base-Backbone interact. energy: -0.865
local terms energy: -210.684418
where:
bonds (distance) C4'-P energy: -41.007
bonds (distance) P-C4' energy: -35.485
flat angles C4'-P-C4' energy: -47.039
flat angles P-C4'-P energy: -30.869
tors. eta vs tors. theta energy: -56.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -597.157795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.157795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.157795 (E_RNA)
where:
Base-Base interactions energy: -381.565
where: short stacking energy: -188.946
Base-Backbone interact. energy: 1.845
local terms energy: -217.437234
where:
bonds (distance) C4'-P energy: -39.549
bonds (distance) P-C4' energy: -42.577
flat angles C4'-P-C4' energy: -44.470
flat angles P-C4'-P energy: -29.439
tors. eta vs tors. theta energy: -61.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -555.395782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.395782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.395782 (E_RNA)
where:
Base-Base interactions energy: -375.562
where: short stacking energy: -171.559
Base-Backbone interact. energy: -1.685
local terms energy: -178.148639
where:
bonds (distance) C4'-P energy: -34.463
bonds (distance) P-C4' energy: -42.181
flat angles C4'-P-C4' energy: -37.606
flat angles P-C4'-P energy: -17.583
tors. eta vs tors. theta energy: -46.316
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: 9
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -557.581909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.581909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.581909 (E_RNA)
where:
Base-Base interactions energy: -354.970
where: short stacking energy: -163.039
Base-Backbone interact. energy: -0.374
local terms energy: -202.237225
where:
bonds (distance) C4'-P energy: -44.035
bonds (distance) P-C4' energy: -38.620
flat angles C4'-P-C4' energy: -44.907
flat angles P-C4'-P energy: -27.012
tors. eta vs tors. theta energy: -47.663
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: 6
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -468.039580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.039580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.039580 (E_RNA)
where:
Base-Base interactions energy: -305.061
where: short stacking energy: -136.467
Base-Backbone interact. energy: -0.087
local terms energy: -162.892296
where:
bonds (distance) C4'-P energy: -30.634
bonds (distance) P-C4' energy: -28.985
flat angles C4'-P-C4' energy: -36.122
flat angles P-C4'-P energy: -31.469
tors. eta vs tors. theta energy: -35.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -399.797923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.797923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.797923 (E_RNA)
where:
Base-Base interactions energy: -240.009
where: short stacking energy: -112.031
Base-Backbone interact. energy: -1.090
local terms energy: -158.699642
where:
bonds (distance) C4'-P energy: -36.009
bonds (distance) P-C4' energy: -36.587
flat angles C4'-P-C4' energy: -37.760
flat angles P-C4'-P energy: -25.770
tors. eta vs tors. theta energy: -22.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -201.638445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.638445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.638445 (E_RNA)
where:
Base-Base interactions energy: -70.848
where: short stacking energy: -59.247
Base-Backbone interact. energy: -0.082
local terms energy: -130.708055
where:
bonds (distance) C4'-P energy: -37.678
bonds (distance) P-C4' energy: -34.177
flat angles C4'-P-C4' energy: -35.428
flat angles P-C4'-P energy: -23.286
tors. eta vs tors. theta energy: -0.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -177.902697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.902697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.902697 (E_RNA)
where:
Base-Base interactions energy: -58.791
where: short stacking energy: -38.534
Base-Backbone interact. energy: 2.294
local terms energy: -121.405433
where:
bonds (distance) C4'-P energy: -32.262
bonds (distance) P-C4' energy: -33.812
flat angles C4'-P-C4' energy: -33.332
flat angles P-C4'-P energy: -22.530
tors. eta vs tors. theta energy: 0.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -177.085678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.085678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.085678 (E_RNA)
where:
Base-Base interactions energy: -68.493
where: short stacking energy: -54.684
Base-Backbone interact. energy: 0.063
local terms energy: -108.655280
where:
bonds (distance) C4'-P energy: -31.157
bonds (distance) P-C4' energy: -32.812
flat angles C4'-P-C4' energy: -32.619
flat angles P-C4'-P energy: -16.955
tors. eta vs tors. theta energy: 4.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -654.009984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.009984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.009984 (E_RNA)
where:
Base-Base interactions energy: -436.063
where: short stacking energy: -191.556
Base-Backbone interact. energy: -0.428
local terms energy: -217.519549
where:
bonds (distance) C4'-P energy: -38.124
bonds (distance) P-C4' energy: -42.636
flat angles C4'-P-C4' energy: -41.716
flat angles P-C4'-P energy: -33.959
tors. eta vs tors. theta energy: -61.083
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: 2, replica: 4
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -662.593899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.593899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.593899 (E_RNA)
where:
Base-Base interactions energy: -438.149
where: short stacking energy: -204.747
Base-Backbone interact. energy: -1.016
local terms energy: -223.429279
where:
bonds (distance) C4'-P energy: -42.958
bonds (distance) P-C4' energy: -37.964
flat angles C4'-P-C4' energy: -47.302
flat angles P-C4'-P energy: -30.791
tors. eta vs tors. theta energy: -64.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -602.636456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.636456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.636456 (E_RNA)
where:
Base-Base interactions energy: -402.436
where: short stacking energy: -188.324
Base-Backbone interact. energy: -0.393
local terms energy: -199.807877
where:
bonds (distance) C4'-P energy: -40.964
bonds (distance) P-C4' energy: -31.874
flat angles C4'-P-C4' energy: -36.784
flat angles P-C4'-P energy: -29.234
tors. eta vs tors. theta energy: -60.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -581.944381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.944381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.944381 (E_RNA)
where:
Base-Base interactions energy: -384.242
where: short stacking energy: -190.774
Base-Backbone interact. energy: 1.705
local terms energy: -199.408035
where:
bonds (distance) C4'-P energy: -35.868
bonds (distance) P-C4' energy: -38.695
flat angles C4'-P-C4' energy: -40.620
flat angles P-C4'-P energy: -29.687
tors. eta vs tors. theta energy: -54.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -549.540295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.540295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.540295 (E_RNA)
where:
Base-Base interactions energy: -360.055
where: short stacking energy: -167.097
Base-Backbone interact. energy: -0.380
local terms energy: -189.105132
where:
bonds (distance) C4'-P energy: -33.544
bonds (distance) P-C4' energy: -36.120
flat angles C4'-P-C4' energy: -41.727
flat angles P-C4'-P energy: -26.297
tors. eta vs tors. theta energy: -51.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -477.914047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.914047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.914047 (E_RNA)
where:
Base-Base interactions energy: -294.221
where: short stacking energy: -147.149
Base-Backbone interact. energy: -1.013
local terms energy: -182.680325
where:
bonds (distance) C4'-P energy: -35.510
bonds (distance) P-C4' energy: -41.538
flat angles C4'-P-C4' energy: -36.421
flat angles P-C4'-P energy: -28.745
tors. eta vs tors. theta energy: -40.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -399.554882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.554882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.554882 (E_RNA)
where:
Base-Base interactions energy: -233.934
where: short stacking energy: -99.182
Base-Backbone interact. energy: 0.160
local terms energy: -165.780539
where:
bonds (distance) C4'-P energy: -38.893
bonds (distance) P-C4' energy: -37.117
flat angles C4'-P-C4' energy: -39.185
flat angles P-C4'-P energy: -23.916
tors. eta vs tors. theta energy: -26.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -238.216289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.216289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.216289 (E_RNA)
where:
Base-Base interactions energy: -122.848
where: short stacking energy: -76.741
Base-Backbone interact. energy: 4.518
local terms energy: -119.886581
where:
bonds (distance) C4'-P energy: -32.587
bonds (distance) P-C4' energy: -43.696
flat angles C4'-P-C4' energy: -29.010
flat angles P-C4'-P energy: -12.733
tors. eta vs tors. theta energy: -1.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -195.204616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.204616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.204616 (E_RNA)
where:
Base-Base interactions energy: -80.655
where: short stacking energy: -66.326
Base-Backbone interact. energy: 0.079
local terms energy: -114.628179
where:
bonds (distance) C4'-P energy: -30.177
bonds (distance) P-C4' energy: -29.596
flat angles C4'-P-C4' energy: -26.590
flat angles P-C4'-P energy: -24.369
tors. eta vs tors. theta energy: -3.896
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: 3
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -157.614429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.614429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.614429 (E_RNA)
where:
Base-Base interactions energy: -40.918
where: short stacking energy: -38.015
Base-Backbone interact. energy: -2.067
local terms energy: -114.629095
where:
bonds (distance) C4'-P energy: -30.262
bonds (distance) P-C4' energy: -37.876
flat angles C4'-P-C4' energy: -34.205
flat angles P-C4'-P energy: -17.054
tors. eta vs tors. theta energy: 4.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -659.320195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.320195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.320195 (E_RNA)
where:
Base-Base interactions energy: -442.649
where: short stacking energy: -192.856
Base-Backbone interact. energy: -0.082
local terms energy: -216.589325
where:
bonds (distance) C4'-P energy: -40.808
bonds (distance) P-C4' energy: -41.471
flat angles C4'-P-C4' energy: -47.191
flat angles P-C4'-P energy: -28.035
tors. eta vs tors. theta energy: -59.083
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: 2, replica: 4
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -639.796082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.796082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.796082 (E_RNA)
where:
Base-Base interactions energy: -431.890
where: short stacking energy: -196.438
Base-Backbone interact. energy: -1.021
local terms energy: -206.884664
where:
bonds (distance) C4'-P energy: -41.920
bonds (distance) P-C4' energy: -37.343
flat angles C4'-P-C4' energy: -45.273
flat angles P-C4'-P energy: -29.761
tors. eta vs tors. theta energy: -52.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -601.004414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.004414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.004414 (E_RNA)
where:
Base-Base interactions energy: -399.052
where: short stacking energy: -191.338
Base-Backbone interact. energy: -0.036
local terms energy: -201.916570
where:
bonds (distance) C4'-P energy: -37.863
bonds (distance) P-C4' energy: -43.152
flat angles C4'-P-C4' energy: -35.889
flat angles P-C4'-P energy: -23.587
tors. eta vs tors. theta energy: -61.426
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: 7
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -579.246371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.246371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.246371 (E_RNA)
where:
Base-Base interactions energy: -373.965
where: short stacking energy: -180.379
Base-Backbone interact. energy: -0.447
local terms energy: -204.833612
where:
bonds (distance) C4'-P energy: -39.574
bonds (distance) P-C4' energy: -44.238
flat angles C4'-P-C4' energy: -39.257
flat angles P-C4'-P energy: -31.434
tors. eta vs tors. theta energy: -50.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -555.615340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.615340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.615340 (E_RNA)
where:
Base-Base interactions energy: -366.701
where: short stacking energy: -170.435
Base-Backbone interact. energy: -0.418
local terms energy: -188.495850
where:
bonds (distance) C4'-P energy: -36.386
bonds (distance) P-C4' energy: -40.741
flat angles C4'-P-C4' energy: -37.436
flat angles P-C4'-P energy: -26.620
tors. eta vs tors. theta energy: -47.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -492.501847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.501847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.501847 (E_RNA)
where:
Base-Base interactions energy: -313.110
where: short stacking energy: -138.741
Base-Backbone interact. energy: -0.992
local terms energy: -178.400019
where:
bonds (distance) C4'-P energy: -38.109
bonds (distance) P-C4' energy: -35.002
flat angles C4'-P-C4' energy: -36.760
flat angles P-C4'-P energy: -29.314
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: 7, replica: 1
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -443.314906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.314906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.314906 (E_RNA)
where:
Base-Base interactions energy: -277.053
where: short stacking energy: -126.867
Base-Backbone interact. energy: -0.219
local terms energy: -166.042999
where:
bonds (distance) C4'-P energy: -40.599
bonds (distance) P-C4' energy: -27.440
flat angles C4'-P-C4' energy: -35.896
flat angles P-C4'-P energy: -27.960
tors. eta vs tors. theta energy: -34.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -204.059143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.059143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.059143 (E_RNA)
where:
Base-Base interactions energy: -66.014
where: short stacking energy: -60.878
Base-Backbone interact. energy: -0.068
local terms energy: -137.976318
where:
bonds (distance) C4'-P energy: -32.937
bonds (distance) P-C4' energy: -39.943
flat angles C4'-P-C4' energy: -33.357
flat angles P-C4'-P energy: -24.459
tors. eta vs tors. theta energy: -7.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -192.217947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.217947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.217947 (E_RNA)
where:
Base-Base interactions energy: -78.724
where: short stacking energy: -60.516
Base-Backbone interact. energy: 0.653
local terms energy: -114.147550
where:
bonds (distance) C4'-P energy: -29.735
bonds (distance) P-C4' energy: -31.171
flat angles C4'-P-C4' energy: -33.254
flat angles P-C4'-P energy: -19.822
tors. eta vs tors. theta energy: -0.165
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: 10, replica: 3
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -177.208652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.208652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.208652 (E_RNA)
where:
Base-Base interactions energy: -62.315
where: short stacking energy: -57.923
Base-Backbone interact. energy: -0.447
local terms energy: -114.446520
where:
bonds (distance) C4'-P energy: -31.940
bonds (distance) P-C4' energy: -36.008
flat angles C4'-P-C4' energy: -23.637
flat angles P-C4'-P energy: -17.161
tors. eta vs tors. theta energy: -5.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -663.607732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.607732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.607732 (E_RNA)
where:
Base-Base interactions energy: -445.369
where: short stacking energy: -199.408
Base-Backbone interact. energy: -0.679
local terms energy: -217.558958
where:
bonds (distance) C4'-P energy: -43.390
bonds (distance) P-C4' energy: -40.485
flat angles C4'-P-C4' energy: -44.675
flat angles P-C4'-P energy: -28.985
tors. eta vs tors. theta energy: -60.025
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: 356
Temperature: 0.950000
Total energy: -639.215847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.215847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.215847 (E_RNA)
where:
Base-Base interactions energy: -431.762
where: short stacking energy: -191.865
Base-Backbone interact. energy: -0.156
local terms energy: -207.297733
where:
bonds (distance) C4'-P energy: -38.618
bonds (distance) P-C4' energy: -41.280
flat angles C4'-P-C4' energy: -42.537
flat angles P-C4'-P energy: -33.329
tors. eta vs tors. theta energy: -51.534
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: 356
Temperature: 1.000000
Total energy: -628.457609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.457609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.457609 (E_RNA)
where:
Base-Base interactions energy: -421.147
where: short stacking energy: -200.968
Base-Backbone interact. energy: -0.098
local terms energy: -207.213014
where:
bonds (distance) C4'-P energy: -35.175
bonds (distance) P-C4' energy: -38.593
flat angles C4'-P-C4' energy: -40.190
flat angles P-C4'-P energy: -31.734
tors. eta vs tors. theta energy: -61.522
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: 4, replica: 7
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -574.240051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.240051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.240051 (E_RNA)
where:
Base-Base interactions energy: -376.505
where: short stacking energy: -179.455
Base-Backbone interact. energy: -1.452
local terms energy: -196.283936
where:
bonds (distance) C4'-P energy: -39.772
bonds (distance) P-C4' energy: -42.406
flat angles C4'-P-C4' energy: -38.968
flat angles P-C4'-P energy: -26.043
tors. eta vs tors. theta energy: -49.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -565.352795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.352795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.352795 (E_RNA)
where:
Base-Base interactions energy: -372.636
where: short stacking energy: -179.819
Base-Backbone interact. energy: -0.538
local terms energy: -192.178973
where:
bonds (distance) C4'-P energy: -36.505
bonds (distance) P-C4' energy: -37.342
flat angles C4'-P-C4' energy: -36.090
flat angles P-C4'-P energy: -27.594
tors. eta vs tors. theta energy: -54.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -485.183788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.183788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.183788 (E_RNA)
where:
Base-Base interactions energy: -316.195
where: short stacking energy: -138.999
Base-Backbone interact. energy: 1.197
local terms energy: -170.185479
where:
bonds (distance) C4'-P energy: -32.956
bonds (distance) P-C4' energy: -33.856
flat angles C4'-P-C4' energy: -40.593
flat angles P-C4'-P energy: -27.360
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: 7, replica: 1
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -450.523273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.523273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.523273 (E_RNA)
where:
Base-Base interactions energy: -293.011
where: short stacking energy: -121.845
Base-Backbone interact. energy: -0.550
local terms energy: -156.961814
where:
bonds (distance) C4'-P energy: -32.140
bonds (distance) P-C4' energy: -41.851
flat angles C4'-P-C4' energy: -39.461
flat angles P-C4'-P energy: -17.626
tors. eta vs tors. theta energy: -25.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -184.603204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.603204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.603204 (E_RNA)
where:
Base-Base interactions energy: -50.806
where: short stacking energy: -40.464
Base-Backbone interact. energy: -1.473
local terms energy: -132.324560
where:
bonds (distance) C4'-P energy: -39.882
bonds (distance) P-C4' energy: -33.367
flat angles C4'-P-C4' energy: -36.241
flat angles P-C4'-P energy: -23.559
tors. eta vs tors. theta energy: 0.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -174.987401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.987401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.987401 (E_RNA)
where:
Base-Base interactions energy: -60.769
where: short stacking energy: -44.769
Base-Backbone interact. energy: -0.978
local terms energy: -113.240382
where:
bonds (distance) C4'-P energy: -31.011
bonds (distance) P-C4' energy: -33.807
flat angles C4'-P-C4' energy: -22.286
flat angles P-C4'-P energy: -21.000
tors. eta vs tors. theta energy: -5.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -165.757456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.757456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.757456 (E_RNA)
where:
Base-Base interactions energy: -49.025
where: short stacking energy: -44.171
Base-Backbone interact. energy: -0.337
local terms energy: -116.395595
where:
bonds (distance) C4'-P energy: -41.282
bonds (distance) P-C4' energy: -38.940
flat angles C4'-P-C4' energy: -33.296
flat angles P-C4'-P energy: -16.558
tors. eta vs tors. theta energy: 13.681
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: 4
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -679.879414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.879414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.879414 (E_RNA)
where:
Base-Base interactions energy: -466.000
where: short stacking energy: -215.657
Base-Backbone interact. energy: -0.180
local terms energy: -213.699341
where:
bonds (distance) C4'-P energy: -33.278
bonds (distance) P-C4' energy: -45.637
flat angles C4'-P-C4' energy: -38.586
flat angles P-C4'-P energy: -35.419
tors. eta vs tors. theta energy: -60.780
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: 2
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -639.243335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.243335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.243335 (E_RNA)
where:
Base-Base interactions energy: -436.891
where: short stacking energy: -194.911
Base-Backbone interact. energy: -1.017
local terms energy: -201.335111
where:
bonds (distance) C4'-P energy: -31.433
bonds (distance) P-C4' energy: -39.952
flat angles C4'-P-C4' energy: -42.100
flat angles P-C4'-P energy: -33.700
tors. eta vs tors. theta energy: -54.150
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: 8
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -604.514858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.514858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.514858 (E_RNA)
where:
Base-Base interactions energy: -398.418
where: short stacking energy: -194.142
Base-Backbone interact. energy: -0.274
local terms energy: -205.823442
where:
bonds (distance) C4'-P energy: -39.127
bonds (distance) P-C4' energy: -39.428
flat angles C4'-P-C4' energy: -43.487
flat angles P-C4'-P energy: -23.096
tors. eta vs tors. theta energy: -60.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -574.289423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.289423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.289423 (E_RNA)
where:
Base-Base interactions energy: -372.245
where: short stacking energy: -180.097
Base-Backbone interact. energy: -1.437
local terms energy: -200.608009
where:
bonds (distance) C4'-P energy: -35.325
bonds (distance) P-C4' energy: -42.609
flat angles C4'-P-C4' energy: -42.051
flat angles P-C4'-P energy: -28.254
tors. eta vs tors. theta energy: -52.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -549.823036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.823036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.823036 (E_RNA)
where:
Base-Base interactions energy: -364.560
where: short stacking energy: -177.126
Base-Backbone interact. energy: -0.350
local terms energy: -184.913068
where:
bonds (distance) C4'-P energy: -32.418
bonds (distance) P-C4' energy: -31.177
flat angles C4'-P-C4' energy: -46.024
flat angles P-C4'-P energy: -26.357
tors. eta vs tors. theta energy: -48.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -453.475363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.475363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.475363 (E_RNA)
where:
Base-Base interactions energy: -288.909
where: short stacking energy: -127.265
Base-Backbone interact. energy: -0.342
local terms energy: -164.224065
where:
bonds (distance) C4'-P energy: -39.315
bonds (distance) P-C4' energy: -31.182
flat angles C4'-P-C4' energy: -34.318
flat angles P-C4'-P energy: -24.887
tors. eta vs tors. theta energy: -34.521
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: 1
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -435.857098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.857098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.857098 (E_RNA)
where:
Base-Base interactions energy: -275.638
where: short stacking energy: -125.978
Base-Backbone interact. energy: -0.173
local terms energy: -160.046083
where:
bonds (distance) C4'-P energy: -26.201
bonds (distance) P-C4' energy: -33.333
flat angles C4'-P-C4' energy: -34.432
flat angles P-C4'-P energy: -26.420
tors. eta vs tors. theta energy: -39.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -208.944215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.944215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.944215 (E_RNA)
where:
Base-Base interactions energy: -65.391
where: short stacking energy: -63.571
Base-Backbone interact. energy: -0.469
local terms energy: -143.084544
where:
bonds (distance) C4'-P energy: -34.977
bonds (distance) P-C4' energy: -46.383
flat angles C4'-P-C4' energy: -34.980
flat angles P-C4'-P energy: -17.936
tors. eta vs tors. theta energy: -8.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -182.959937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.959937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.959937 (E_RNA)
where:
Base-Base interactions energy: -71.018
where: short stacking energy: -60.722
Base-Backbone interact. energy: 6.488
local terms energy: -118.429649
where:
bonds (distance) C4'-P energy: -41.102
bonds (distance) P-C4' energy: -34.449
flat angles C4'-P-C4' energy: -33.880
flat angles P-C4'-P energy: -5.847
tors. eta vs tors. theta energy: -3.151
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: 5
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -161.050129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.050129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.050129 (E_RNA)
where:
Base-Base interactions energy: -36.744
where: short stacking energy: -34.082
Base-Backbone interact. energy: -0.396
local terms energy: -123.910268
where:
bonds (distance) C4'-P energy: -29.555
bonds (distance) P-C4' energy: -41.216
flat angles C4'-P-C4' energy: -31.232
flat angles P-C4'-P energy: -25.524
tors. eta vs tors. theta energy: 3.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -683.296161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.296161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.296161 (E_RNA)
where:
Base-Base interactions energy: -453.229
where: short stacking energy: -215.188
Base-Backbone interact. energy: -0.282
local terms energy: -229.784807
where:
bonds (distance) C4'-P energy: -42.288
bonds (distance) P-C4' energy: -43.432
flat angles C4'-P-C4' energy: -43.706
flat angles P-C4'-P energy: -34.150
tors. eta vs tors. theta energy: -66.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -628.590761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.590761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.590761 (E_RNA)
where:
Base-Base interactions energy: -426.730
where: short stacking energy: -177.376
Base-Backbone interact. energy: 0.216
local terms energy: -202.076944
where:
bonds (distance) C4'-P energy: -31.065
bonds (distance) P-C4' energy: -41.058
flat angles C4'-P-C4' energy: -46.722
flat angles P-C4'-P energy: -24.969
tors. eta vs tors. theta energy: -58.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -614.746221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.746221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.746221 (E_RNA)
where:
Base-Base interactions energy: -411.288
where: short stacking energy: -201.730
Base-Backbone interact. energy: -1.083
local terms energy: -202.375341
where:
bonds (distance) C4'-P energy: -30.403
bonds (distance) P-C4' energy: -38.521
flat angles C4'-P-C4' energy: -42.554
flat angles P-C4'-P energy: -29.496
tors. eta vs tors. theta energy: -61.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -578.571496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.571496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.571496 (E_RNA)
where:
Base-Base interactions energy: -377.832
where: short stacking energy: -181.523
Base-Backbone interact. energy: -0.807
local terms energy: -199.932740
where:
bonds (distance) C4'-P energy: -35.909
bonds (distance) P-C4' energy: -39.044
flat angles C4'-P-C4' energy: -43.661
flat angles P-C4'-P energy: -30.291
tors. eta vs tors. theta energy: -51.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -551.772877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.772877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.772877 (E_RNA)
where:
Base-Base interactions energy: -366.600
where: short stacking energy: -172.387
Base-Backbone interact. energy: -1.727
local terms energy: -183.445796
where:
bonds (distance) C4'-P energy: -23.112
bonds (distance) P-C4' energy: -35.092
flat angles C4'-P-C4' energy: -44.395
flat angles P-C4'-P energy: -28.457
tors. eta vs tors. theta energy: -52.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -488.872389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.872389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.872389 (E_RNA)
where:
Base-Base interactions energy: -313.275
where: short stacking energy: -158.450
Base-Backbone interact. energy: 2.173
local terms energy: -177.769946
where:
bonds (distance) C4'-P energy: -31.150
bonds (distance) P-C4' energy: -32.966
flat angles C4'-P-C4' energy: -37.819
flat angles P-C4'-P energy: -29.671
tors. eta vs tors. theta energy: -46.164
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: 1
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -417.408810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.408810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.408810 (E_RNA)
where:
Base-Base interactions energy: -265.844
where: short stacking energy: -121.080
Base-Backbone interact. energy: -0.409
local terms energy: -151.155852
where:
bonds (distance) C4'-P energy: -41.156
bonds (distance) P-C4' energy: -36.381
flat angles C4'-P-C4' energy: -37.532
flat angles P-C4'-P energy: -14.233
tors. eta vs tors. theta energy: -21.854
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: 3
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -194.771616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.771616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.771616 (E_RNA)
where:
Base-Base interactions energy: -77.789
where: short stacking energy: -58.659
Base-Backbone interact. energy: 4.376
local terms energy: -121.359246
where:
bonds (distance) C4'-P energy: -34.277
bonds (distance) P-C4' energy: -32.334
flat angles C4'-P-C4' energy: -36.070
flat angles P-C4'-P energy: -24.126
tors. eta vs tors. theta energy: 5.449
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: 10
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -182.572317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.572317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.572317 (E_RNA)
where:
Base-Base interactions energy: -72.522
where: short stacking energy: -66.109
Base-Backbone interact. energy: -1.475
local terms energy: -108.575715
where:
bonds (distance) C4'-P energy: -22.907
bonds (distance) P-C4' energy: -37.248
flat angles C4'-P-C4' energy: -30.924
flat angles P-C4'-P energy: -14.099
tors. eta vs tors. theta energy: -3.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -165.265418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.265418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.265418 (E_RNA)
where:
Base-Base interactions energy: -55.849
where: short stacking energy: -41.997
Base-Backbone interact. energy: -1.259
local terms energy: -108.157570
where:
bonds (distance) C4'-P energy: -36.807
bonds (distance) P-C4' energy: -36.213
flat angles C4'-P-C4' energy: -31.224
flat angles P-C4'-P energy: -12.222
tors. eta vs tors. theta energy: 8.308
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: 4
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -679.375206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.375206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.375206 (E_RNA)
where:
Base-Base interactions energy: -450.944
where: short stacking energy: -213.483
Base-Backbone interact. energy: -0.556
local terms energy: -227.875411
where:
bonds (distance) C4'-P energy: -41.397
bonds (distance) P-C4' energy: -39.510
flat angles C4'-P-C4' energy: -43.479
flat angles P-C4'-P energy: -34.530
tors. eta vs tors. theta energy: -68.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -641.972462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.972462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.972462 (E_RNA)
where:
Base-Base interactions energy: -431.817
where: short stacking energy: -195.070
Base-Backbone interact. energy: -1.434
local terms energy: -208.721546
where:
bonds (distance) C4'-P energy: -40.275
bonds (distance) P-C4' energy: -40.454
flat angles C4'-P-C4' energy: -39.726
flat angles P-C4'-P energy: -25.051
tors. eta vs tors. theta energy: -63.214
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: 3, replica: 8
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -594.475488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.475488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.475488 (E_RNA)
where:
Base-Base interactions energy: -399.332
where: short stacking energy: -193.981
Base-Backbone interact. energy: -0.663
local terms energy: -194.480361
where:
bonds (distance) C4'-P energy: -33.671
bonds (distance) P-C4' energy: -32.512
flat angles C4'-P-C4' energy: -41.161
flat angles P-C4'-P energy: -23.654
tors. eta vs tors. theta energy: -63.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -581.461544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.461544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.461544 (E_RNA)
where:
Base-Base interactions energy: -404.541
where: short stacking energy: -170.863
Base-Backbone interact. energy: -0.611
local terms energy: -176.309539
where:
bonds (distance) C4'-P energy: -30.374
bonds (distance) P-C4' energy: -40.659
flat angles C4'-P-C4' energy: -32.126
flat angles P-C4'-P energy: -20.022
tors. eta vs tors. theta energy: -53.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -564.090569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.090569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.090569 (E_RNA)
where:
Base-Base interactions energy: -371.876
where: short stacking energy: -183.531
Base-Backbone interact. energy: -0.312
local terms energy: -191.903109
where:
bonds (distance) C4'-P energy: -29.466
bonds (distance) P-C4' energy: -37.605
flat angles C4'-P-C4' energy: -43.832
flat angles P-C4'-P energy: -25.991
tors. eta vs tors. theta energy: -55.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -458.580721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.580721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.580721 (E_RNA)
where:
Base-Base interactions energy: -291.074
where: short stacking energy: -129.877
Base-Backbone interact. energy: -0.884
local terms energy: -166.622735
where:
bonds (distance) C4'-P energy: -28.359
bonds (distance) P-C4' energy: -41.290
flat angles C4'-P-C4' energy: -35.368
flat angles P-C4'-P energy: -30.762
tors. eta vs tors. theta energy: -30.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -436.322505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.322505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.322505 (E_RNA)
where:
Base-Base interactions energy: -273.246
where: short stacking energy: -122.956
Base-Backbone interact. energy: -0.575
local terms energy: -162.502171
where:
bonds (distance) C4'-P energy: -34.661
bonds (distance) P-C4' energy: -32.549
flat angles C4'-P-C4' energy: -37.464
flat angles P-C4'-P energy: -17.539
tors. eta vs tors. theta energy: -40.289
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: 3
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -196.883501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.883501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.883501 (E_RNA)
where:
Base-Base interactions energy: -72.124
where: short stacking energy: -64.138
Base-Backbone interact. energy: 2.029
local terms energy: -126.788432
where:
bonds (distance) C4'-P energy: -36.847
bonds (distance) P-C4' energy: -31.656
flat angles C4'-P-C4' energy: -28.787
flat angles P-C4'-P energy: -26.529
tors. eta vs tors. theta energy: -2.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -199.062754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.062754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.062754 (E_RNA)
where:
Base-Base interactions energy: -84.380
where: short stacking energy: -57.575
Base-Backbone interact. energy: 0.668
local terms energy: -115.350136
where:
bonds (distance) C4'-P energy: -34.485
bonds (distance) P-C4' energy: -37.385
flat angles C4'-P-C4' energy: -34.369
flat angles P-C4'-P energy: -13.514
tors. eta vs tors. theta energy: 4.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -171.376894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.376894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.376894 (E_RNA)
where:
Base-Base interactions energy: -58.960
where: short stacking energy: -48.202
Base-Backbone interact. energy: 0.148
local terms energy: -112.564359
where:
bonds (distance) C4'-P energy: -43.830
bonds (distance) P-C4' energy: -32.567
flat angles C4'-P-C4' energy: -28.932
flat angles P-C4'-P energy: -12.348
tors. eta vs tors. theta energy: 5.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -664.203174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.203174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.203174 (E_RNA)
where:
Base-Base interactions energy: -442.316
where: short stacking energy: -212.415
Base-Backbone interact. energy: -0.200
local terms energy: -221.687799
where:
bonds (distance) C4'-P energy: -41.128
bonds (distance) P-C4' energy: -41.289
flat angles C4'-P-C4' energy: -38.791
flat angles P-C4'-P energy: -31.653
tors. eta vs tors. theta energy: -68.826
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: 2
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -646.036616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.036616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.036616 (E_RNA)
where:
Base-Base interactions energy: -431.953
where: short stacking energy: -182.050
Base-Backbone interact. energy: -0.280
local terms energy: -213.803779
where:
bonds (distance) C4'-P energy: -40.659
bonds (distance) P-C4' energy: -43.075
flat angles C4'-P-C4' energy: -41.171
flat angles P-C4'-P energy: -33.997
tors. eta vs tors. theta energy: -54.901
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: 9
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -601.049568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.049568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.049568 (E_RNA)
where:
Base-Base interactions energy: -398.907
where: short stacking energy: -184.702
Base-Backbone interact. energy: -0.882
local terms energy: -201.260250
where:
bonds (distance) C4'-P energy: -40.754
bonds (distance) P-C4' energy: -38.881
flat angles C4'-P-C4' energy: -45.256
flat angles P-C4'-P energy: -23.249
tors. eta vs tors. theta energy: -53.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -590.208892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.208892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.208892 (E_RNA)
where:
Base-Base interactions energy: -382.439
where: short stacking energy: -189.157
Base-Backbone interact. energy: 0.320
local terms energy: -208.090246
where:
bonds (distance) C4'-P energy: -42.464
bonds (distance) P-C4' energy: -37.530
flat angles C4'-P-C4' energy: -43.211
flat angles P-C4'-P energy: -28.378
tors. eta vs tors. theta energy: -56.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -555.295907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.295907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.295907 (E_RNA)
where:
Base-Base interactions energy: -373.342
where: short stacking energy: -160.213
Base-Backbone interact. energy: -0.955
local terms energy: -180.999711
where:
bonds (distance) C4'-P energy: -31.626
bonds (distance) P-C4' energy: -40.322
flat angles C4'-P-C4' energy: -36.848
flat angles P-C4'-P energy: -25.430
tors. eta vs tors. theta energy: -46.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -453.140347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.140347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.140347 (E_RNA)
where:
Base-Base interactions energy: -304.131
where: short stacking energy: -124.230
Base-Backbone interact. energy: -0.423
local terms energy: -148.586019
where:
bonds (distance) C4'-P energy: -32.439
bonds (distance) P-C4' energy: -37.128
flat angles C4'-P-C4' energy: -33.620
flat angles P-C4'-P energy: -15.688
tors. eta vs tors. theta energy: -29.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -402.245519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.245519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.245519 (E_RNA)
where:
Base-Base interactions energy: -250.695
where: short stacking energy: -111.771
Base-Backbone interact. energy: -0.783
local terms energy: -150.767559
where:
bonds (distance) C4'-P energy: -31.848
bonds (distance) P-C4' energy: -37.375
flat angles C4'-P-C4' energy: -38.722
flat angles P-C4'-P energy: -21.236
tors. eta vs tors. theta energy: -21.587
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: 8, replica: 3
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -256.583210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.583210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.583210 (E_RNA)
where:
Base-Base interactions energy: -131.834
where: short stacking energy: -73.424
Base-Backbone interact. energy: -1.064
local terms energy: -123.685263
where:
bonds (distance) C4'-P energy: -36.162
bonds (distance) P-C4' energy: -33.066
flat angles C4'-P-C4' energy: -36.186
flat angles P-C4'-P energy: -12.325
tors. eta vs tors. theta energy: -5.946
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: 9, replica: 5
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -187.606467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.606467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.606467 (E_RNA)
where:
Base-Base interactions energy: -70.802
where: short stacking energy: -59.675
Base-Backbone interact. energy: -1.186
local terms energy: -115.618094
where:
bonds (distance) C4'-P energy: -34.128
bonds (distance) P-C4' energy: -34.138
flat angles C4'-P-C4' energy: -26.224
flat angles P-C4'-P energy: -16.862
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: 10, replica: 10
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -155.252052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.252052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.252052 (E_RNA)
where:
Base-Base interactions energy: -41.472
where: short stacking energy: -31.037
Base-Backbone interact. energy: -1.178
local terms energy: -112.601735
where:
bonds (distance) C4'-P energy: -30.750
bonds (distance) P-C4' energy: -40.639
flat angles C4'-P-C4' energy: -29.005
flat angles P-C4'-P energy: -20.244
tors. eta vs tors. theta energy: 8.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -673.468541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.468541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.468541 (E_RNA)
where:
Base-Base interactions energy: -439.618
where: short stacking energy: -210.224
Base-Backbone interact. energy: -0.180
local terms energy: -233.670032
where:
bonds (distance) C4'-P energy: -44.221
bonds (distance) P-C4' energy: -41.905
flat angles C4'-P-C4' energy: -44.300
flat angles P-C4'-P energy: -31.613
tors. eta vs tors. theta energy: -71.631
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: 2
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -629.224149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.224149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.224149 (E_RNA)
where:
Base-Base interactions energy: -413.638
where: short stacking energy: -170.901
Base-Backbone interact. energy: -0.334
local terms energy: -215.252226
where:
bonds (distance) C4'-P energy: -41.620
bonds (distance) P-C4' energy: -44.949
flat angles C4'-P-C4' energy: -46.338
flat angles P-C4'-P energy: -30.998
tors. eta vs tors. theta energy: -51.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -593.114341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.114341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.114341 (E_RNA)
where:
Base-Base interactions energy: -372.454
where: short stacking energy: -183.864
Base-Backbone interact. energy: -0.390
local terms energy: -220.269682
where:
bonds (distance) C4'-P energy: -39.181
bonds (distance) P-C4' energy: -46.133
flat angles C4'-P-C4' energy: -46.844
flat angles P-C4'-P energy: -29.222
tors. eta vs tors. theta energy: -58.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -597.191135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.191135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.191135 (E_RNA)
where:
Base-Base interactions energy: -404.394
where: short stacking energy: -189.835
Base-Backbone interact. energy: 0.528
local terms energy: -193.324393
where:
bonds (distance) C4'-P energy: -39.884
bonds (distance) P-C4' energy: -33.144
flat angles C4'-P-C4' energy: -38.906
flat angles P-C4'-P energy: -26.392
tors. eta vs tors. theta energy: -54.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -565.878902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.878902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.878902 (E_RNA)
where:
Base-Base interactions energy: -379.479
where: short stacking energy: -169.048
Base-Backbone interact. energy: -2.122
local terms energy: -184.277528
where:
bonds (distance) C4'-P energy: -32.127
bonds (distance) P-C4' energy: -35.315
flat angles C4'-P-C4' energy: -41.898
flat angles P-C4'-P energy: -26.117
tors. eta vs tors. theta energy: -48.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -493.068595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.068595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.068595 (E_RNA)
where:
Base-Base interactions energy: -314.456
where: short stacking energy: -145.964
Base-Backbone interact. energy: -0.239
local terms energy: -178.373289
where:
bonds (distance) C4'-P energy: -31.991
bonds (distance) P-C4' energy: -35.907
flat angles C4'-P-C4' energy: -39.842
flat angles P-C4'-P energy: -26.939
tors. eta vs tors. theta energy: -43.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -423.372315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.372315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.372315 (E_RNA)
where:
Base-Base interactions energy: -280.338
where: short stacking energy: -111.295
Base-Backbone interact. energy: -0.304
local terms energy: -142.730300
where:
bonds (distance) C4'-P energy: -37.078
bonds (distance) P-C4' energy: -31.928
flat angles C4'-P-C4' energy: -23.189
flat angles P-C4'-P energy: -26.090
tors. eta vs tors. theta energy: -24.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -252.152395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.152395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.152395 (E_RNA)
where:
Base-Base interactions energy: -130.979
where: short stacking energy: -72.158
Base-Backbone interact. energy: -0.954
local terms energy: -120.219843
where:
bonds (distance) C4'-P energy: -36.317
bonds (distance) P-C4' energy: -31.158
flat angles C4'-P-C4' energy: -28.007
flat angles P-C4'-P energy: -19.554
tors. eta vs tors. theta energy: -5.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -216.085571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.085571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.085571 (E_RNA)
where:
Base-Base interactions energy: -98.341
where: short stacking energy: -59.834
Base-Backbone interact. energy: -0.232
local terms energy: -117.511855
where:
bonds (distance) C4'-P energy: -32.292
bonds (distance) P-C4' energy: -45.536
flat angles C4'-P-C4' energy: -23.895
flat angles P-C4'-P energy: -17.421
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: 10
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -189.713365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.713365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.713365 (E_RNA)
where:
Base-Base interactions energy: -64.905
where: short stacking energy: -49.795
Base-Backbone interact. energy: -1.716
local terms energy: -123.092624
where:
bonds (distance) C4'-P energy: -35.573
bonds (distance) P-C4' energy: -34.755
flat angles C4'-P-C4' energy: -28.833
flat angles P-C4'-P energy: -23.056
tors. eta vs tors. theta energy: -0.876
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: 4
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -671.626592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.626592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.626592 (E_RNA)
where:
Base-Base interactions energy: -465.266
where: short stacking energy: -216.759
Base-Backbone interact. energy: -0.640
local terms energy: -205.720082
where:
bonds (distance) C4'-P energy: -38.969
bonds (distance) P-C4' energy: -32.009
flat angles C4'-P-C4' energy: -39.427
flat angles P-C4'-P energy: -31.899
tors. eta vs tors. theta energy: -63.418
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: 2, replica: 2
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -643.740612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.740612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.740612 (E_RNA)
where:
Base-Base interactions energy: -442.684
where: short stacking energy: -188.665
Base-Backbone interact. energy: -0.510
local terms energy: -200.546719
where:
bonds (distance) C4'-P energy: -33.611
bonds (distance) P-C4' energy: -40.118
flat angles C4'-P-C4' energy: -45.660
flat angles P-C4'-P energy: -29.679
tors. eta vs tors. theta energy: -51.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -600.479648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.479648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.479648 (E_RNA)
where:
Base-Base interactions energy: -397.963
where: short stacking energy: -187.099
Base-Backbone interact. energy: -0.910
local terms energy: -201.606699
where:
bonds (distance) C4'-P energy: -28.497
bonds (distance) P-C4' energy: -40.043
flat angles C4'-P-C4' energy: -39.604
flat angles P-C4'-P energy: -35.694
tors. eta vs tors. theta energy: -57.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -599.826220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.826220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.826220 (E_RNA)
where:
Base-Base interactions energy: -387.525
where: short stacking energy: -185.912
Base-Backbone interact. energy: 0.461
local terms energy: -212.762384
where:
bonds (distance) C4'-P energy: -34.735
bonds (distance) P-C4' energy: -42.001
flat angles C4'-P-C4' energy: -47.790
flat angles P-C4'-P energy: -26.667
tors. eta vs tors. theta energy: -61.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -552.158561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.158561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.158561 (E_RNA)
where:
Base-Base interactions energy: -361.311
where: short stacking energy: -171.993
Base-Backbone interact. energy: -0.921
local terms energy: -189.927282
where:
bonds (distance) C4'-P energy: -39.687
bonds (distance) P-C4' energy: -36.490
flat angles C4'-P-C4' energy: -44.062
flat angles P-C4'-P energy: -21.096
tors. eta vs tors. theta energy: -48.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -482.638806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.638806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.638806 (E_RNA)
where:
Base-Base interactions energy: -303.901
where: short stacking energy: -143.312
Base-Backbone interact. energy: 0.664
local terms energy: -179.402291
where:
bonds (distance) C4'-P energy: -37.780
bonds (distance) P-C4' energy: -37.188
flat angles C4'-P-C4' energy: -29.855
flat angles P-C4'-P energy: -25.941
tors. eta vs tors. theta energy: -48.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -485.129287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.129287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.129287 (E_RNA)
where:
Base-Base interactions energy: -312.770
where: short stacking energy: -142.307
Base-Backbone interact. energy: -0.116
local terms energy: -172.243148
where:
bonds (distance) C4'-P energy: -36.772
bonds (distance) P-C4' energy: -34.544
flat angles C4'-P-C4' energy: -33.095
flat angles P-C4'-P energy: -22.614
tors. eta vs tors. theta energy: -45.218
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: 3
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -258.189830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.189830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.189830 (E_RNA)
where:
Base-Base interactions energy: -120.781
where: short stacking energy: -54.071
Base-Backbone interact. energy: -1.237
local terms energy: -136.171878
where:
bonds (distance) C4'-P energy: -38.462
bonds (distance) P-C4' energy: -43.077
flat angles C4'-P-C4' energy: -28.958
flat angles P-C4'-P energy: -24.638
tors. eta vs tors. theta energy: -1.037
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: 10
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -180.041448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.041448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.041448 (E_RNA)
where:
Base-Base interactions energy: -55.885
where: short stacking energy: -47.493
Base-Backbone interact. energy: 0.238
local terms energy: -124.393914
where:
bonds (distance) C4'-P energy: -30.609
bonds (distance) P-C4' energy: -45.321
flat angles C4'-P-C4' energy: -32.471
flat angles P-C4'-P energy: -15.492
tors. eta vs tors. theta energy: -0.500
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: 362
Temperature: 1.350000
Total energy: -173.028519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.028519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.028519 (E_RNA)
where:
Base-Base interactions energy: -68.184
where: short stacking energy: -46.101
Base-Backbone interact. energy: -0.310
local terms energy: -104.535279
where:
bonds (distance) C4'-P energy: -27.394
bonds (distance) P-C4' energy: -35.563
flat angles C4'-P-C4' energy: -29.075
flat angles P-C4'-P energy: -21.280
tors. eta vs tors. theta energy: 8.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -662.295560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.295560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.295560 (E_RNA)
where:
Base-Base interactions energy: -442.334
where: short stacking energy: -202.943
Base-Backbone interact. energy: -0.461
local terms energy: -219.500783
where:
bonds (distance) C4'-P energy: -37.334
bonds (distance) P-C4' energy: -34.991
flat angles C4'-P-C4' energy: -44.506
flat angles P-C4'-P energy: -36.136
tors. eta vs tors. theta energy: -66.534
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: 2, replica: 2
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -631.808434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.808434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.808434 (E_RNA)
where:
Base-Base interactions energy: -432.413
where: short stacking energy: -189.436
Base-Backbone interact. energy: -1.410
local terms energy: -197.985189
where:
bonds (distance) C4'-P energy: -27.576
bonds (distance) P-C4' energy: -36.007
flat angles C4'-P-C4' energy: -44.044
flat angles P-C4'-P energy: -27.254
tors. eta vs tors. theta energy: -63.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -586.935845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.935845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.935845 (E_RNA)
where:
Base-Base interactions energy: -379.922
where: short stacking energy: -186.737
Base-Backbone interact. energy: -0.360
local terms energy: -206.653461
where:
bonds (distance) C4'-P energy: -36.379
bonds (distance) P-C4' energy: -38.093
flat angles C4'-P-C4' energy: -42.009
flat angles P-C4'-P energy: -30.743
tors. eta vs tors. theta energy: -59.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -578.042099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.042099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.042099 (E_RNA)
where:
Base-Base interactions energy: -361.339
where: short stacking energy: -168.924
Base-Backbone interact. energy: -0.945
local terms energy: -215.758296
where:
bonds (distance) C4'-P energy: -36.671
bonds (distance) P-C4' energy: -38.634
flat angles C4'-P-C4' energy: -47.831
flat angles P-C4'-P energy: -33.866
tors. eta vs tors. theta energy: -58.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -579.154989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.154989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.154989 (E_RNA)
where:
Base-Base interactions energy: -372.329
where: short stacking energy: -180.039
Base-Backbone interact. energy: 0.015
local terms energy: -206.841089
where:
bonds (distance) C4'-P energy: -39.582
bonds (distance) P-C4' energy: -31.515
flat angles C4'-P-C4' energy: -46.541
flat angles P-C4'-P energy: -30.584
tors. eta vs tors. theta energy: -58.620
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: 6
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -496.282036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.282036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.282036 (E_RNA)
where:
Base-Base interactions energy: -330.709
where: short stacking energy: -149.178
Base-Backbone interact. energy: -0.119
local terms energy: -165.454416
where:
bonds (distance) C4'-P energy: -34.836
bonds (distance) P-C4' energy: -24.394
flat angles C4'-P-C4' energy: -37.949
flat angles P-C4'-P energy: -22.702
tors. eta vs tors. theta energy: -45.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -535.757993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.757993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.757993 (E_RNA)
where:
Base-Base interactions energy: -340.930
where: short stacking energy: -158.949
Base-Backbone interact. energy: -0.385
local terms energy: -194.442473
where:
bonds (distance) C4'-P energy: -39.102
bonds (distance) P-C4' energy: -39.893
flat angles C4'-P-C4' energy: -41.020
flat angles P-C4'-P energy: -21.140
tors. eta vs tors. theta energy: -53.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -279.551644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.551644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.551644 (E_RNA)
where:
Base-Base interactions energy: -122.675
where: short stacking energy: -80.796
Base-Backbone interact. energy: -1.768
local terms energy: -155.108540
where:
bonds (distance) C4'-P energy: -38.621
bonds (distance) P-C4' energy: -33.350
flat angles C4'-P-C4' energy: -33.223
flat angles P-C4'-P energy: -27.565
tors. eta vs tors. theta energy: -22.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -183.096228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.096228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.096228 (E_RNA)
where:
Base-Base interactions energy: -64.906
where: short stacking energy: -54.971
Base-Backbone interact. energy: -0.285
local terms energy: -117.905799
where:
bonds (distance) C4'-P energy: -33.181
bonds (distance) P-C4' energy: -40.883
flat angles C4'-P-C4' energy: -26.649
flat angles P-C4'-P energy: -18.090
tors. eta vs tors. theta energy: 0.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -161.291168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.291168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.291168 (E_RNA)
where:
Base-Base interactions energy: -65.494
where: short stacking energy: -50.086
Base-Backbone interact. energy: 0.017
local terms energy: -95.813593
where:
bonds (distance) C4'-P energy: -27.826
bonds (distance) P-C4' energy: -29.867
flat angles C4'-P-C4' energy: -30.797
flat angles P-C4'-P energy: -12.127
tors. eta vs tors. theta energy: 4.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -636.887873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.887873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.887873 (E_RNA)
where:
Base-Base interactions energy: -427.902
where: short stacking energy: -187.449
Base-Backbone interact. energy: -0.248
local terms energy: -208.737378
where:
bonds (distance) C4'-P energy: -40.891
bonds (distance) P-C4' energy: -43.615
flat angles C4'-P-C4' energy: -42.620
flat angles P-C4'-P energy: -25.273
tors. eta vs tors. theta energy: -56.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -652.271965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.271965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.271965 (E_RNA)
where:
Base-Base interactions energy: -451.101
where: short stacking energy: -208.769
Base-Backbone interact. energy: 0.165
local terms energy: -201.336497
where:
bonds (distance) C4'-P energy: -24.294
bonds (distance) P-C4' energy: -40.292
flat angles C4'-P-C4' energy: -48.112
flat angles P-C4'-P energy: -22.850
tors. eta vs tors. theta energy: -65.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -577.484298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.484298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.484298 (E_RNA)
where:
Base-Base interactions energy: -371.737
where: short stacking energy: -185.612
Base-Backbone interact. energy: -0.052
local terms energy: -205.694916
where:
bonds (distance) C4'-P energy: -45.348
bonds (distance) P-C4' energy: -39.614
flat angles C4'-P-C4' energy: -40.338
flat angles P-C4'-P energy: -23.488
tors. eta vs tors. theta energy: -56.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -575.807631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.807631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.807631 (E_RNA)
where:
Base-Base interactions energy: -375.080
where: short stacking energy: -178.914
Base-Backbone interact. energy: -0.355
local terms energy: -200.372318
where:
bonds (distance) C4'-P energy: -35.409
bonds (distance) P-C4' energy: -36.909
flat angles C4'-P-C4' energy: -41.145
flat angles P-C4'-P energy: -32.922
tors. eta vs tors. theta energy: -53.986
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: 364
Temperature: 1.100000
Total energy: -555.459980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.459980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.459980 (E_RNA)
where:
Base-Base interactions energy: -358.183
where: short stacking energy: -153.978
Base-Backbone interact. energy: 2.178
local terms energy: -199.455085
where:
bonds (distance) C4'-P energy: -39.186
bonds (distance) P-C4' energy: -38.819
flat angles C4'-P-C4' energy: -41.912
flat angles P-C4'-P energy: -25.895
tors. eta vs tors. theta energy: -53.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -482.579080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.579080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.579080 (E_RNA)
where:
Base-Base interactions energy: -310.438
where: short stacking energy: -145.140
Base-Backbone interact. energy: -0.165
local terms energy: -171.976195
where:
bonds (distance) C4'-P energy: -37.511
bonds (distance) P-C4' energy: -40.141
flat angles C4'-P-C4' energy: -37.034
flat angles P-C4'-P energy: -24.806
tors. eta vs tors. theta energy: -32.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -523.311869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.311869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.311869 (E_RNA)
where:
Base-Base interactions energy: -349.571
where: short stacking energy: -155.007
Base-Backbone interact. energy: 0.822
local terms energy: -174.562500
where:
bonds (distance) C4'-P energy: -27.503
bonds (distance) P-C4' energy: -35.704
flat angles C4'-P-C4' energy: -35.475
flat angles P-C4'-P energy: -24.126
tors. eta vs tors. theta energy: -51.755
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: 8, replica: 3
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -256.155329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.155329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.155329 (E_RNA)
where:
Base-Base interactions energy: -120.710
where: short stacking energy: -78.232
Base-Backbone interact. energy: 0.590
local terms energy: -136.034837
where:
bonds (distance) C4'-P energy: -33.246
bonds (distance) P-C4' energy: -35.305
flat angles C4'-P-C4' energy: -31.247
flat angles P-C4'-P energy: -24.866
tors. eta vs tors. theta energy: -11.371
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: 5
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -191.755902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.755902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.755902 (E_RNA)
where:
Base-Base interactions energy: -88.819
where: short stacking energy: -63.121
Base-Backbone interact. energy: 0.460
local terms energy: -103.396687
where:
bonds (distance) C4'-P energy: -29.948
bonds (distance) P-C4' energy: -33.243
flat angles C4'-P-C4' energy: -19.672
flat angles P-C4'-P energy: -24.458
tors. eta vs tors. theta energy: 3.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -171.781537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.781537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.781537 (E_RNA)
where:
Base-Base interactions energy: -57.463
where: short stacking energy: -50.612
Base-Backbone interact. energy: 0.225
local terms energy: -114.542882
where:
bonds (distance) C4'-P energy: -38.629
bonds (distance) P-C4' energy: -33.284
flat angles C4'-P-C4' energy: -26.575
flat angles P-C4'-P energy: -20.852
tors. eta vs tors. theta energy: 4.798
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: 1, replica: 2
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -642.358753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.358753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.358753 (E_RNA)
where:
Base-Base interactions energy: -444.670
where: short stacking energy: -184.674
Base-Backbone interact. energy: -1.150
local terms energy: -196.538571
where:
bonds (distance) C4'-P energy: -37.464
bonds (distance) P-C4' energy: -38.658
flat angles C4'-P-C4' energy: -34.027
flat angles P-C4'-P energy: -29.747
tors. eta vs tors. theta energy: -56.643
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: 4
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -659.055154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.055154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.055154 (E_RNA)
where:
Base-Base interactions energy: -439.638
where: short stacking energy: -202.008
Base-Backbone interact. energy: -0.521
local terms energy: -218.896220
where:
bonds (distance) C4'-P energy: -43.658
bonds (distance) P-C4' energy: -37.588
flat angles C4'-P-C4' energy: -48.122
flat angles P-C4'-P energy: -24.976
tors. eta vs tors. theta energy: -64.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -580.968034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.968034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.968034 (E_RNA)
where:
Base-Base interactions energy: -373.570
where: short stacking energy: -183.650
Base-Backbone interact. energy: -0.381
local terms energy: -207.017052
where:
bonds (distance) C4'-P energy: -31.611
bonds (distance) P-C4' energy: -42.906
flat angles C4'-P-C4' energy: -43.885
flat angles P-C4'-P energy: -26.328
tors. eta vs tors. theta energy: -62.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -575.406865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.406865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.406865 (E_RNA)
where:
Base-Base interactions energy: -376.600
where: short stacking energy: -173.338
Base-Backbone interact. energy: 0.176
local terms energy: -198.982090
where:
bonds (distance) C4'-P energy: -38.803
bonds (distance) P-C4' energy: -36.565
flat angles C4'-P-C4' energy: -42.257
flat angles P-C4'-P energy: -31.788
tors. eta vs tors. theta energy: -49.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -551.263779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.263779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.263779 (E_RNA)
where:
Base-Base interactions energy: -363.390
where: short stacking energy: -164.521
Base-Backbone interact. energy: -0.167
local terms energy: -187.706542
where:
bonds (distance) C4'-P energy: -34.628
bonds (distance) P-C4' energy: -34.237
flat angles C4'-P-C4' energy: -45.041
flat angles P-C4'-P energy: -24.275
tors. eta vs tors. theta energy: -49.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -517.245121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.245121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.245121 (E_RNA)
where:
Base-Base interactions energy: -336.528
where: short stacking energy: -152.309
Base-Backbone interact. energy: 0.466
local terms energy: -181.183082
where:
bonds (distance) C4'-P energy: -42.093
bonds (distance) P-C4' energy: -25.188
flat angles C4'-P-C4' energy: -38.793
flat angles P-C4'-P energy: -30.311
tors. eta vs tors. theta energy: -44.798
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: 365
Temperature: 1.200000
Total energy: -483.196791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.196791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.196791 (E_RNA)
where:
Base-Base interactions energy: -314.650
where: short stacking energy: -134.517
Base-Backbone interact. energy: -1.812
local terms energy: -166.734601
where:
bonds (distance) C4'-P energy: -35.808
bonds (distance) P-C4' energy: -33.569
flat angles C4'-P-C4' energy: -39.925
flat angles P-C4'-P energy: -17.901
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: 8, replica: 5
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -230.318989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.318989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.318989 (E_RNA)
where:
Base-Base interactions energy: -117.094
where: short stacking energy: -50.334
Base-Backbone interact. energy: 1.073
local terms energy: -114.298271
where:
bonds (distance) C4'-P energy: -30.024
bonds (distance) P-C4' energy: -32.273
flat angles C4'-P-C4' energy: -34.140
flat angles P-C4'-P energy: -24.839
tors. eta vs tors. theta energy: 6.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -232.421940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.421940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.421940 (E_RNA)
where:
Base-Base interactions energy: -96.182
where: short stacking energy: -56.309
Base-Backbone interact. energy: -0.426
local terms energy: -135.814021
where:
bonds (distance) C4'-P energy: -35.896
bonds (distance) P-C4' energy: -33.314
flat angles C4'-P-C4' energy: -29.303
flat angles P-C4'-P energy: -29.347
tors. eta vs tors. theta energy: -7.955
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: 10
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -172.626045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.626045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.626045 (E_RNA)
where:
Base-Base interactions energy: -58.010
where: short stacking energy: -49.469
Base-Backbone interact. energy: -1.001
local terms energy: -113.615200
where:
bonds (distance) C4'-P energy: -29.363
bonds (distance) P-C4' energy: -28.524
flat angles C4'-P-C4' energy: -40.717
flat angles P-C4'-P energy: -19.020
tors. eta vs tors. theta energy: 4.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -663.262174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.262174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.262174 (E_RNA)
where:
Base-Base interactions energy: -442.224
where: short stacking energy: -196.395
Base-Backbone interact. energy: -1.170
local terms energy: -219.868564
where:
bonds (distance) C4'-P energy: -38.556
bonds (distance) P-C4' energy: -37.823
flat angles C4'-P-C4' energy: -46.582
flat angles P-C4'-P energy: -38.340
tors. eta vs tors. theta energy: -58.567
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: 4
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -641.146935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.146935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.146935 (E_RNA)
where:
Base-Base interactions energy: -428.826
where: short stacking energy: -188.307
Base-Backbone interact. energy: -0.312
local terms energy: -212.008386
where:
bonds (distance) C4'-P energy: -39.110
bonds (distance) P-C4' energy: -40.661
flat angles C4'-P-C4' energy: -42.616
flat angles P-C4'-P energy: -30.290
tors. eta vs tors. theta energy: -59.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -601.025779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.025779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.025779 (E_RNA)
where:
Base-Base interactions energy: -396.369
where: short stacking energy: -192.946
Base-Backbone interact. energy: -0.085
local terms energy: -204.571443
where:
bonds (distance) C4'-P energy: -34.926
bonds (distance) P-C4' energy: -41.180
flat angles C4'-P-C4' energy: -41.101
flat angles P-C4'-P energy: -31.164
tors. eta vs tors. theta energy: -56.199
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: 9
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -584.648518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.648518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.648518 (E_RNA)
where:
Base-Base interactions energy: -374.130
where: short stacking energy: -172.647
Base-Backbone interact. energy: -0.422
local terms energy: -210.096853
where:
bonds (distance) C4'-P energy: -37.216
bonds (distance) P-C4' energy: -37.612
flat angles C4'-P-C4' energy: -41.767
flat angles P-C4'-P energy: -33.401
tors. eta vs tors. theta energy: -60.101
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: 8
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -555.332678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.332678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.332678 (E_RNA)
where:
Base-Base interactions energy: -359.254
where: short stacking energy: -177.476
Base-Backbone interact. energy: -0.626
local terms energy: -195.452296
where:
bonds (distance) C4'-P energy: -35.752
bonds (distance) P-C4' energy: -33.947
flat angles C4'-P-C4' energy: -36.690
flat angles P-C4'-P energy: -32.608
tors. eta vs tors. theta energy: -56.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -496.367526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.367526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.367526 (E_RNA)
where:
Base-Base interactions energy: -332.688
where: short stacking energy: -143.137
Base-Backbone interact. energy: -0.376
local terms energy: -163.303694
where:
bonds (distance) C4'-P energy: -29.269
bonds (distance) P-C4' energy: -30.619
flat angles C4'-P-C4' energy: -38.239
flat angles P-C4'-P energy: -24.475
tors. eta vs tors. theta energy: -40.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -494.541444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.541444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.541444 (E_RNA)
where:
Base-Base interactions energy: -318.316
where: short stacking energy: -158.321
Base-Backbone interact. energy: -0.213
local terms energy: -176.012627
where:
bonds (distance) C4'-P energy: -33.372
bonds (distance) P-C4' energy: -34.270
flat angles C4'-P-C4' energy: -42.015
flat angles P-C4'-P energy: -28.532
tors. eta vs tors. theta energy: -37.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -215.717885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.717885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.717885 (E_RNA)
where:
Base-Base interactions energy: -92.915
where: short stacking energy: -49.141
Base-Backbone interact. energy: 0.427
local terms energy: -123.229487
where:
bonds (distance) C4'-P energy: -28.542
bonds (distance) P-C4' energy: -35.073
flat angles C4'-P-C4' energy: -34.194
flat angles P-C4'-P energy: -24.154
tors. eta vs tors. theta energy: -1.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -204.083513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.083513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.083513 (E_RNA)
where:
Base-Base interactions energy: -103.550
where: short stacking energy: -54.516
Base-Backbone interact. energy: -2.057
local terms energy: -98.476156
where:
bonds (distance) C4'-P energy: -32.405
bonds (distance) P-C4' energy: -37.113
flat angles C4'-P-C4' energy: -22.525
flat angles P-C4'-P energy: -10.277
tors. eta vs tors. theta energy: 3.844
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: 10, replica: 10
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -195.226316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.226316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.226316 (E_RNA)
where:
Base-Base interactions energy: -81.444
where: short stacking energy: -63.584
Base-Backbone interact. energy: -0.443
local terms energy: -113.339302
where:
bonds (distance) C4'-P energy: -33.158
bonds (distance) P-C4' energy: -37.012
flat angles C4'-P-C4' energy: -23.446
flat angles P-C4'-P energy: -21.232
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: 1, replica: 2
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -657.620860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.620860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.620860 (E_RNA)
where:
Base-Base interactions energy: -436.395
where: short stacking energy: -198.767
Base-Backbone interact. energy: -0.001
local terms energy: -221.224711
where:
bonds (distance) C4'-P energy: -42.385
bonds (distance) P-C4' energy: -38.574
flat angles C4'-P-C4' energy: -46.429
flat angles P-C4'-P energy: -30.943
tors. eta vs tors. theta energy: -62.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -642.537058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.537058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.537058 (E_RNA)
where:
Base-Base interactions energy: -424.258
where: short stacking energy: -180.330
Base-Backbone interact. energy: 0.061
local terms energy: -218.340269
where:
bonds (distance) C4'-P energy: -39.649
bonds (distance) P-C4' energy: -44.306
flat angles C4'-P-C4' energy: -42.812
flat angles P-C4'-P energy: -30.450
tors. eta vs tors. theta energy: -61.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -598.843125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.843125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.843125 (E_RNA)
where:
Base-Base interactions energy: -405.026
where: short stacking energy: -193.405
Base-Backbone interact. energy: -0.326
local terms energy: -193.491283
where:
bonds (distance) C4'-P energy: -32.231
bonds (distance) P-C4' energy: -36.074
flat angles C4'-P-C4' energy: -44.394
flat angles P-C4'-P energy: -25.325
tors. eta vs tors. theta energy: -55.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -568.188857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.188857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.188857 (E_RNA)
where:
Base-Base interactions energy: -367.006
where: short stacking energy: -174.255
Base-Backbone interact. energy: 0.621
local terms energy: -201.804091
where:
bonds (distance) C4'-P energy: -38.988
bonds (distance) P-C4' energy: -36.591
flat angles C4'-P-C4' energy: -46.924
flat angles P-C4'-P energy: -28.922
tors. eta vs tors. theta energy: -50.379
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: 9
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -548.290142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.290142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.290142 (E_RNA)
where:
Base-Base interactions energy: -355.027
where: short stacking energy: -172.593
Base-Backbone interact. energy: -0.041
local terms energy: -193.221797
where:
bonds (distance) C4'-P energy: -32.063
bonds (distance) P-C4' energy: -28.844
flat angles C4'-P-C4' energy: -41.376
flat angles P-C4'-P energy: -35.879
tors. eta vs tors. theta energy: -55.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -495.494031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.494031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.494031 (E_RNA)
where:
Base-Base interactions energy: -319.928
where: short stacking energy: -133.629
Base-Backbone interact. energy: -0.441
local terms energy: -175.124951
where:
bonds (distance) C4'-P energy: -33.793
bonds (distance) P-C4' energy: -40.212
flat angles C4'-P-C4' energy: -32.828
flat angles P-C4'-P energy: -27.098
tors. eta vs tors. theta energy: -41.193
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: 367
Temperature: 1.200000
Total energy: -475.438408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.438408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.438408 (E_RNA)
where:
Base-Base interactions energy: -308.591
where: short stacking energy: -131.696
Base-Backbone interact. energy: 1.723
local terms energy: -168.570451
where:
bonds (distance) C4'-P energy: -35.211
bonds (distance) P-C4' energy: -41.442
flat angles C4'-P-C4' energy: -31.391
flat angles P-C4'-P energy: -25.472
tors. eta vs tors. theta energy: -35.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -213.422198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.422198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.422198 (E_RNA)
where:
Base-Base interactions energy: -74.444
where: short stacking energy: -68.650
Base-Backbone interact. energy: -1.076
local terms energy: -137.902206
where:
bonds (distance) C4'-P energy: -35.269
bonds (distance) P-C4' energy: -40.399
flat angles C4'-P-C4' energy: -34.448
flat angles P-C4'-P energy: -25.639
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: 9, replica: 3
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -174.451034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.451034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.451034 (E_RNA)
where:
Base-Base interactions energy: -56.091
where: short stacking energy: -44.193
Base-Backbone interact. energy: -0.261
local terms energy: -118.098986
where:
bonds (distance) C4'-P energy: -28.950
bonds (distance) P-C4' energy: -31.142
flat angles C4'-P-C4' energy: -31.881
flat angles P-C4'-P energy: -29.689
tors. eta vs tors. theta energy: 3.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -171.473012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.473012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.473012 (E_RNA)
where:
Base-Base interactions energy: -56.092
where: short stacking energy: -40.317
Base-Backbone interact. energy: -0.979
local terms energy: -114.402044
where:
bonds (distance) C4'-P energy: -35.633
bonds (distance) P-C4' energy: -43.714
flat angles C4'-P-C4' energy: -23.138
flat angles P-C4'-P energy: -19.762
tors. eta vs tors. theta energy: 7.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -664.130489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.130489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.130489 (E_RNA)
where:
Base-Base interactions energy: -438.816
where: short stacking energy: -211.463
Base-Backbone interact. energy: -2.664
local terms energy: -222.650043
where:
bonds (distance) C4'-P energy: -36.809
bonds (distance) P-C4' energy: -43.114
flat angles C4'-P-C4' energy: -39.782
flat angles P-C4'-P energy: -34.614
tors. eta vs tors. theta energy: -68.332
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: 2
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -640.842825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.842825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.842825 (E_RNA)
where:
Base-Base interactions energy: -427.744
where: short stacking energy: -185.768
Base-Backbone interact. energy: 0.076
local terms energy: -213.174431
where:
bonds (distance) C4'-P energy: -38.025
bonds (distance) P-C4' energy: -47.094
flat angles C4'-P-C4' energy: -45.376
flat angles P-C4'-P energy: -26.896
tors. eta vs tors. theta energy: -55.784
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: 3, replica: 7
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -582.211542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.211542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.211542 (E_RNA)
where:
Base-Base interactions energy: -376.652
where: short stacking energy: -176.604
Base-Backbone interact. energy: 0.245
local terms energy: -205.805217
where:
bonds (distance) C4'-P energy: -34.357
bonds (distance) P-C4' energy: -40.941
flat angles C4'-P-C4' energy: -46.548
flat angles P-C4'-P energy: -33.215
tors. eta vs tors. theta energy: -50.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -575.294715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.294715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.294715 (E_RNA)
where:
Base-Base interactions energy: -376.912
where: short stacking energy: -188.786
Base-Backbone interact. energy: -0.497
local terms energy: -197.884974
where:
bonds (distance) C4'-P energy: -34.378
bonds (distance) P-C4' energy: -37.088
flat angles C4'-P-C4' energy: -39.194
flat angles P-C4'-P energy: -32.564
tors. eta vs tors. theta energy: -54.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -534.873736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.873736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.873736 (E_RNA)
where:
Base-Base interactions energy: -349.974
where: short stacking energy: -153.002
Base-Backbone interact. energy: -0.286
local terms energy: -184.613644
where:
bonds (distance) C4'-P energy: -37.133
bonds (distance) P-C4' energy: -34.554
flat angles C4'-P-C4' energy: -40.082
flat angles P-C4'-P energy: -23.026
tors. eta vs tors. theta energy: -49.818
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: 9
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -544.355223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.355223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.355223 (E_RNA)
where:
Base-Base interactions energy: -359.968
where: short stacking energy: -174.452
Base-Backbone interact. energy: -0.977
local terms energy: -183.410284
where:
bonds (distance) C4'-P energy: -39.112
bonds (distance) P-C4' energy: -32.651
flat angles C4'-P-C4' energy: -34.943
flat angles P-C4'-P energy: -25.188
tors. eta vs tors. theta energy: -51.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -460.032554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.032554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.032554 (E_RNA)
where:
Base-Base interactions energy: -280.609
where: short stacking energy: -129.867
Base-Backbone interact. energy: -1.215
local terms energy: -178.208585
where:
bonds (distance) C4'-P energy: -33.490
bonds (distance) P-C4' energy: -44.165
flat angles C4'-P-C4' energy: -36.499
flat angles P-C4'-P energy: -23.169
tors. eta vs tors. theta energy: -40.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -219.215722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.215722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.215722 (E_RNA)
where:
Base-Base interactions energy: -96.097
where: short stacking energy: -61.530
Base-Backbone interact. energy: 0.082
local terms energy: -123.200254
where:
bonds (distance) C4'-P energy: -34.556
bonds (distance) P-C4' energy: -37.301
flat angles C4'-P-C4' energy: -31.586
flat angles P-C4'-P energy: -20.141
tors. eta vs tors. theta energy: 0.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -179.597723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.597723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.597723 (E_RNA)
where:
Base-Base interactions energy: -57.195
where: short stacking energy: -49.102
Base-Backbone interact. energy: 0.194
local terms energy: -122.595934
where:
bonds (distance) C4'-P energy: -33.744
bonds (distance) P-C4' energy: -40.152
flat angles C4'-P-C4' energy: -31.680
flat angles P-C4'-P energy: -22.156
tors. eta vs tors. theta energy: 5.136
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: 3
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -171.055888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.055888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.055888 (E_RNA)
where:
Base-Base interactions energy: -48.026
where: short stacking energy: -48.026
Base-Backbone interact. energy: -0.120
local terms energy: -122.910282
where:
bonds (distance) C4'-P energy: -36.545
bonds (distance) P-C4' energy: -35.725
flat angles C4'-P-C4' energy: -34.004
flat angles P-C4'-P energy: -16.631
tors. eta vs tors. theta energy: -0.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -659.093656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.093656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.093656 (E_RNA)
where:
Base-Base interactions energy: -451.202
where: short stacking energy: -206.245
Base-Backbone interact. energy: -1.001
local terms energy: -206.890422
where:
bonds (distance) C4'-P energy: -36.877
bonds (distance) P-C4' energy: -30.536
flat angles C4'-P-C4' energy: -43.033
flat angles P-C4'-P energy: -33.048
tors. eta vs tors. theta energy: -63.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -644.452989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.452989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.452989 (E_RNA)
where:
Base-Base interactions energy: -426.451
where: short stacking energy: -195.358
Base-Backbone interact. energy: -0.136
local terms energy: -217.865648
where:
bonds (distance) C4'-P energy: -44.612
bonds (distance) P-C4' energy: -42.961
flat angles C4'-P-C4' energy: -41.916
flat angles P-C4'-P energy: -30.047
tors. eta vs tors. theta energy: -58.329
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: 3, replica: 7
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -570.365099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.365099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.365099 (E_RNA)
where:
Base-Base interactions energy: -371.926
where: short stacking energy: -178.541
Base-Backbone interact. energy: -0.672
local terms energy: -197.767920
where:
bonds (distance) C4'-P energy: -36.654
bonds (distance) P-C4' energy: -43.611
flat angles C4'-P-C4' energy: -43.234
flat angles P-C4'-P energy: -20.584
tors. eta vs tors. theta energy: -53.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -596.595049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.595049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.595049 (E_RNA)
where:
Base-Base interactions energy: -393.532
where: short stacking energy: -193.245
Base-Backbone interact. energy: -0.139
local terms energy: -202.924203
where:
bonds (distance) C4'-P energy: -29.485
bonds (distance) P-C4' energy: -38.196
flat angles C4'-P-C4' energy: -44.763
flat angles P-C4'-P energy: -31.209
tors. eta vs tors. theta energy: -59.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -528.396012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.396012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.396012 (E_RNA)
where:
Base-Base interactions energy: -336.794
where: short stacking energy: -149.293
Base-Backbone interact. energy: -0.561
local terms energy: -191.041561
where:
bonds (distance) C4'-P energy: -36.794
bonds (distance) P-C4' energy: -40.030
flat angles C4'-P-C4' energy: -40.905
flat angles P-C4'-P energy: -31.900
tors. eta vs tors. theta energy: -41.412
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: 9
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -525.178993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.178993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.178993 (E_RNA)
where:
Base-Base interactions energy: -335.760
where: short stacking energy: -161.999
Base-Backbone interact. energy: -0.182
local terms energy: -189.236610
where:
bonds (distance) C4'-P energy: -39.558
bonds (distance) P-C4' energy: -34.041
flat angles C4'-P-C4' energy: -36.576
flat angles P-C4'-P energy: -28.018
tors. eta vs tors. theta energy: -51.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -457.108717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.108717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.108717 (E_RNA)
where:
Base-Base interactions energy: -289.768
where: short stacking energy: -122.665
Base-Backbone interact. energy: -0.992
local terms energy: -166.348486
where:
bonds (distance) C4'-P energy: -36.052
bonds (distance) P-C4' energy: -40.717
flat angles C4'-P-C4' energy: -38.221
flat angles P-C4'-P energy: -20.800
tors. eta vs tors. theta energy: -30.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -184.571929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.571929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.571929 (E_RNA)
where:
Base-Base interactions energy: -60.417
where: short stacking energy: -45.820
Base-Backbone interact. energy: -1.369
local terms energy: -122.786112
where:
bonds (distance) C4'-P energy: -30.921
bonds (distance) P-C4' energy: -41.261
flat angles C4'-P-C4' energy: -36.297
flat angles P-C4'-P energy: -19.031
tors. eta vs tors. theta energy: 4.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -173.319020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.319020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.319020 (E_RNA)
where:
Base-Base interactions energy: -63.089
where: short stacking energy: -54.790
Base-Backbone interact. energy: 3.959
local terms energy: -114.189004
where:
bonds (distance) C4'-P energy: -22.878
bonds (distance) P-C4' energy: -32.732
flat angles C4'-P-C4' energy: -31.032
flat angles P-C4'-P energy: -25.556
tors. eta vs tors. theta energy: -1.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -175.365598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.365598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.365598 (E_RNA)
where:
Base-Base interactions energy: -63.698
where: short stacking energy: -50.374
Base-Backbone interact. energy: -1.571
local terms energy: -110.096688
where:
bonds (distance) C4'-P energy: -27.311
bonds (distance) P-C4' energy: -37.383
flat angles C4'-P-C4' energy: -35.208
flat angles P-C4'-P energy: -11.434
tors. eta vs tors. theta energy: 1.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -664.745632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.745632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.745632 (E_RNA)
where:
Base-Base interactions energy: -442.141
where: short stacking energy: -203.443
Base-Backbone interact. energy: -0.843
local terms energy: -221.761489
where:
bonds (distance) C4'-P energy: -39.478
bonds (distance) P-C4' energy: -40.562
flat angles C4'-P-C4' energy: -40.682
flat angles P-C4'-P energy: -33.927
tors. eta vs tors. theta energy: -67.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -639.266870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.266870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.266870 (E_RNA)
where:
Base-Base interactions energy: -429.642
where: short stacking energy: -187.348
Base-Backbone interact. energy: -0.288
local terms energy: -209.337607
where:
bonds (distance) C4'-P energy: -42.720
bonds (distance) P-C4' energy: -34.314
flat angles C4'-P-C4' energy: -43.815
flat angles P-C4'-P energy: -30.640
tors. eta vs tors. theta energy: -57.849
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: 8
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -599.699550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.699550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.699550 (E_RNA)
where:
Base-Base interactions energy: -389.604
where: short stacking energy: -184.531
Base-Backbone interact. energy: 0.340
local terms energy: -210.435994
where:
bonds (distance) C4'-P energy: -37.028
bonds (distance) P-C4' energy: -45.022
flat angles C4'-P-C4' energy: -42.828
flat angles P-C4'-P energy: -26.135
tors. eta vs tors. theta energy: -59.423
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: 7
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -568.265633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.265633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.265633 (E_RNA)
where:
Base-Base interactions energy: -378.547
where: short stacking energy: -179.185
Base-Backbone interact. energy: 0.975
local terms energy: -190.694030
where:
bonds (distance) C4'-P energy: -41.055
bonds (distance) P-C4' energy: -35.405
flat angles C4'-P-C4' energy: -42.423
flat angles P-C4'-P energy: -20.976
tors. eta vs tors. theta energy: -50.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -553.524795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.524795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.524795 (E_RNA)
where:
Base-Base interactions energy: -366.970
where: short stacking energy: -171.057
Base-Backbone interact. energy: 0.079
local terms energy: -186.633823
where:
bonds (distance) C4'-P energy: -29.915
bonds (distance) P-C4' energy: -40.864
flat angles C4'-P-C4' energy: -35.766
flat angles P-C4'-P energy: -26.899
tors. eta vs tors. theta energy: -53.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -538.199832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.199832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.199832 (E_RNA)
where:
Base-Base interactions energy: -356.661
where: short stacking energy: -166.476
Base-Backbone interact. energy: -0.101
local terms energy: -181.437917
where:
bonds (distance) C4'-P energy: -28.196
bonds (distance) P-C4' energy: -37.210
flat angles C4'-P-C4' energy: -37.963
flat angles P-C4'-P energy: -27.191
tors. eta vs tors. theta energy: -50.878
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: 6
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -457.130401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.130401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.130401 (E_RNA)
where:
Base-Base interactions energy: -293.966
where: short stacking energy: -129.480
Base-Backbone interact. energy: -0.472
local terms energy: -162.692880
where:
bonds (distance) C4'-P energy: -30.006
bonds (distance) P-C4' energy: -41.822
flat angles C4'-P-C4' energy: -33.430
flat angles P-C4'-P energy: -22.128
tors. eta vs tors. theta energy: -35.307
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: 370
Temperature: 1.250000
Total energy: -208.103198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.103198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.103198 (E_RNA)
where:
Base-Base interactions energy: -79.087
where: short stacking energy: -71.509
Base-Backbone interact. energy: -0.731
local terms energy: -128.285296
where:
bonds (distance) C4'-P energy: -33.862
bonds (distance) P-C4' energy: -35.573
flat angles C4'-P-C4' energy: -29.116
flat angles P-C4'-P energy: -20.620
tors. eta vs tors. theta energy: -9.114
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: 10
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -190.980551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.980551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.980551 (E_RNA)
where:
Base-Base interactions energy: -65.218
where: short stacking energy: -58.413
Base-Backbone interact. energy: -0.148
local terms energy: -125.614249
where:
bonds (distance) C4'-P energy: -30.945
bonds (distance) P-C4' energy: -41.492
flat angles C4'-P-C4' energy: -34.201
flat angles P-C4'-P energy: -19.111
tors. eta vs tors. theta energy: 0.136
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: 3
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -171.137728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.137728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.137728 (E_RNA)
where:
Base-Base interactions energy: -67.336
where: short stacking energy: -48.224
Base-Backbone interact. energy: -0.870
local terms energy: -102.932045
where:
bonds (distance) C4'-P energy: -31.183
bonds (distance) P-C4' energy: -31.621
flat angles C4'-P-C4' energy: -31.120
flat angles P-C4'-P energy: -16.037
tors. eta vs tors. theta energy: 7.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -681.390484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.390484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.390484 (E_RNA)
where:
Base-Base interactions energy: -460.780
where: short stacking energy: -226.757
Base-Backbone interact. energy: -0.561
local terms energy: -220.049695
where:
bonds (distance) C4'-P energy: -42.535
bonds (distance) P-C4' energy: -39.349
flat angles C4'-P-C4' energy: -45.664
flat angles P-C4'-P energy: -27.262
tors. eta vs tors. theta energy: -65.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -634.498392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.498392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.498392 (E_RNA)
where:
Base-Base interactions energy: -433.664
where: short stacking energy: -188.050
Base-Backbone interact. energy: 0.368
local terms energy: -201.202820
where:
bonds (distance) C4'-P energy: -35.023
bonds (distance) P-C4' energy: -31.814
flat angles C4'-P-C4' energy: -46.952
flat angles P-C4'-P energy: -29.725
tors. eta vs tors. theta energy: -57.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -601.943513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.943513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.943513 (E_RNA)
where:
Base-Base interactions energy: -404.653
where: short stacking energy: -185.557
Base-Backbone interact. energy: -0.170
local terms energy: -197.120887
where:
bonds (distance) C4'-P energy: -31.631
bonds (distance) P-C4' energy: -42.822
flat angles C4'-P-C4' energy: -46.105
flat angles P-C4'-P energy: -24.175
tors. eta vs tors. theta energy: -52.388
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: 1
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -571.832038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.832038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.832038 (E_RNA)
where:
Base-Base interactions energy: -372.992
where: short stacking energy: -167.978
Base-Backbone interact. energy: 1.687
local terms energy: -200.526348
where:
bonds (distance) C4'-P energy: -37.116
bonds (distance) P-C4' energy: -41.329
flat angles C4'-P-C4' energy: -41.612
flat angles P-C4'-P energy: -29.972
tors. eta vs tors. theta energy: -50.498
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: 5, replica: 7
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -564.364151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.364151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.364151 (E_RNA)
where:
Base-Base interactions energy: -365.214
where: short stacking energy: -182.211
Base-Backbone interact. energy: -0.327
local terms energy: -198.823192
where:
bonds (distance) C4'-P energy: -37.047
bonds (distance) P-C4' energy: -37.432
flat angles C4'-P-C4' energy: -47.858
flat angles P-C4'-P energy: -23.921
tors. eta vs tors. theta energy: -52.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -522.768313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.768313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.768313 (E_RNA)
where:
Base-Base interactions energy: -336.977
where: short stacking energy: -162.116
Base-Backbone interact. energy: 0.580
local terms energy: -186.371437
where:
bonds (distance) C4'-P energy: -32.530
bonds (distance) P-C4' energy: -39.542
flat angles C4'-P-C4' energy: -41.678
flat angles P-C4'-P energy: -21.814
tors. eta vs tors. theta energy: -50.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -386.850144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.850144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.850144 (E_RNA)
where:
Base-Base interactions energy: -238.596
where: short stacking energy: -112.072
Base-Backbone interact. energy: 1.557
local terms energy: -149.811617
where:
bonds (distance) C4'-P energy: -28.860
bonds (distance) P-C4' energy: -39.102
flat angles C4'-P-C4' energy: -37.524
flat angles P-C4'-P energy: -25.926
tors. eta vs tors. theta energy: -18.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -211.831442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.831442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.831442 (E_RNA)
where:
Base-Base interactions energy: -83.487
where: short stacking energy: -58.890
Base-Backbone interact. energy: -0.282
local terms energy: -128.062406
where:
bonds (distance) C4'-P energy: -31.354
bonds (distance) P-C4' energy: -42.605
flat angles C4'-P-C4' energy: -24.875
flat angles P-C4'-P energy: -25.360
tors. eta vs tors. theta energy: -3.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -182.692685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.692685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.692685 (E_RNA)
where:
Base-Base interactions energy: -66.445
where: short stacking energy: -60.021
Base-Backbone interact. energy: 0.369
local terms energy: -116.616545
where:
bonds (distance) C4'-P energy: -26.821
bonds (distance) P-C4' energy: -36.715
flat angles C4'-P-C4' energy: -31.181
flat angles P-C4'-P energy: -20.589
tors. eta vs tors. theta energy: -1.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -174.655248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.655248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.655248 (E_RNA)
where:
Base-Base interactions energy: -54.055
where: short stacking energy: -34.689
Base-Backbone interact. energy: 0.147
local terms energy: -120.746935
where:
bonds (distance) C4'-P energy: -44.355
bonds (distance) P-C4' energy: -39.418
flat angles C4'-P-C4' energy: -23.400
flat angles P-C4'-P energy: -17.229
tors. eta vs tors. theta energy: 3.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -656.453490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.453490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.453490 (E_RNA)
where:
Base-Base interactions energy: -452.469
where: short stacking energy: -203.341
Base-Backbone interact. energy: -0.961
local terms energy: -203.023757
where:
bonds (distance) C4'-P energy: -33.438
bonds (distance) P-C4' energy: -34.259
flat angles C4'-P-C4' energy: -46.831
flat angles P-C4'-P energy: -30.499
tors. eta vs tors. theta energy: -57.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -660.190654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.190654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.190654 (E_RNA)
where:
Base-Base interactions energy: -449.114
where: short stacking energy: -214.228
Base-Backbone interact. energy: -0.786
local terms energy: -210.290451
where:
bonds (distance) C4'-P energy: -28.903
bonds (distance) P-C4' energy: -46.879
flat angles C4'-P-C4' energy: -38.757
flat angles P-C4'-P energy: -31.131
tors. eta vs tors. theta energy: -64.621
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: 8
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -611.667592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.667592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.667592 (E_RNA)
where:
Base-Base interactions energy: -397.478
where: short stacking energy: -197.092
Base-Backbone interact. energy: -0.505
local terms energy: -213.684186
where:
bonds (distance) C4'-P energy: -39.550
bonds (distance) P-C4' energy: -44.163
flat angles C4'-P-C4' energy: -42.795
flat angles P-C4'-P energy: -24.016
tors. eta vs tors. theta energy: -63.161
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: 1
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -547.885474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.885474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.885474 (E_RNA)
where:
Base-Base interactions energy: -350.095
where: short stacking energy: -152.192
Base-Backbone interact. energy: -0.733
local terms energy: -197.058041
where:
bonds (distance) C4'-P energy: -37.606
bonds (distance) P-C4' energy: -40.850
flat angles C4'-P-C4' energy: -45.656
flat angles P-C4'-P energy: -28.329
tors. eta vs tors. theta energy: -44.617
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: 5, replica: 7
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -549.474537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.474537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.474537 (E_RNA)
where:
Base-Base interactions energy: -354.719
where: short stacking energy: -173.797
Base-Backbone interact. energy: -1.790
local terms energy: -192.965610
where:
bonds (distance) C4'-P energy: -32.331
bonds (distance) P-C4' energy: -37.376
flat angles C4'-P-C4' energy: -38.905
flat angles P-C4'-P energy: -33.940
tors. eta vs tors. theta energy: -50.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -518.516575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.516575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.516575 (E_RNA)
where:
Base-Base interactions energy: -349.156
where: short stacking energy: -169.333
Base-Backbone interact. energy: -0.157
local terms energy: -169.203502
where:
bonds (distance) C4'-P energy: -24.870
bonds (distance) P-C4' energy: -35.445
flat angles C4'-P-C4' energy: -38.638
flat angles P-C4'-P energy: -25.806
tors. eta vs tors. theta energy: -44.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -381.721854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.721854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.721854 (E_RNA)
where:
Base-Base interactions energy: -238.163
where: short stacking energy: -102.961
Base-Backbone interact. energy: -0.433
local terms energy: -143.125978
where:
bonds (distance) C4'-P energy: -36.545
bonds (distance) P-C4' energy: -31.097
flat angles C4'-P-C4' energy: -36.513
flat angles P-C4'-P energy: -22.409
tors. eta vs tors. theta energy: -16.562
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: 8, replica: 10
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -195.734053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.734053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.734053 (E_RNA)
where:
Base-Base interactions energy: -71.348
where: short stacking energy: -61.578
Base-Backbone interact. energy: -1.174
local terms energy: -123.211516
where:
bonds (distance) C4'-P energy: -35.103
bonds (distance) P-C4' energy: -37.148
flat angles C4'-P-C4' energy: -33.125
flat angles P-C4'-P energy: -13.292
tors. eta vs tors. theta energy: -4.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -174.407999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.407999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.407999 (E_RNA)
where:
Base-Base interactions energy: -53.343
where: short stacking energy: -53.407
Base-Backbone interact. energy: -0.948
local terms energy: -120.117531
where:
bonds (distance) C4'-P energy: -39.661
bonds (distance) P-C4' energy: -34.061
flat angles C4'-P-C4' energy: -28.322
flat angles P-C4'-P energy: -17.868
tors. eta vs tors. theta energy: -0.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -175.514971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.514971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.514971 (E_RNA)
where:
Base-Base interactions energy: -75.125
where: short stacking energy: -58.833
Base-Backbone interact. energy: -1.704
local terms energy: -98.686666
where:
bonds (distance) C4'-P energy: -21.479
bonds (distance) P-C4' energy: -33.287
flat angles C4'-P-C4' energy: -25.189
flat angles P-C4'-P energy: -16.004
tors. eta vs tors. theta energy: -2.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -671.469146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.469146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.469146 (E_RNA)
where:
Base-Base interactions energy: -455.796
where: short stacking energy: -201.758
Base-Backbone interact. energy: -0.248
local terms energy: -215.425828
where:
bonds (distance) C4'-P energy: -40.134
bonds (distance) P-C4' energy: -38.298
flat angles C4'-P-C4' energy: -47.234
flat angles P-C4'-P energy: -25.959
tors. eta vs tors. theta energy: -63.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -656.600910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.600910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.600910 (E_RNA)
where:
Base-Base interactions energy: -440.026
where: short stacking energy: -212.579
Base-Backbone interact. energy: -0.406
local terms energy: -216.169130
where:
bonds (distance) C4'-P energy: -30.927
bonds (distance) P-C4' energy: -38.250
flat angles C4'-P-C4' energy: -50.478
flat angles P-C4'-P energy: -31.870
tors. eta vs tors. theta energy: -64.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -604.034737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.034737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.034737 (E_RNA)
where:
Base-Base interactions energy: -394.283
where: short stacking energy: -186.814
Base-Backbone interact. energy: -0.552
local terms energy: -209.199878
where:
bonds (distance) C4'-P energy: -37.794
bonds (distance) P-C4' energy: -42.231
flat angles C4'-P-C4' energy: -48.145
flat angles P-C4'-P energy: -25.294
tors. eta vs tors. theta energy: -55.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -584.901550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.901550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.901550 (E_RNA)
where:
Base-Base interactions energy: -371.950
where: short stacking energy: -177.039
Base-Backbone interact. energy: 0.770
local terms energy: -213.721536
where:
bonds (distance) C4'-P energy: -40.326
bonds (distance) P-C4' energy: -41.712
flat angles C4'-P-C4' energy: -43.204
flat angles P-C4'-P energy: -32.240
tors. eta vs tors. theta energy: -56.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -533.298792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.298792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.298792 (E_RNA)
where:
Base-Base interactions energy: -352.036
where: short stacking energy: -141.330
Base-Backbone interact. energy: -0.855
local terms energy: -180.408072
where:
bonds (distance) C4'-P energy: -34.121
bonds (distance) P-C4' energy: -37.562
flat angles C4'-P-C4' energy: -34.662
flat angles P-C4'-P energy: -25.684
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: 6, replica: 9
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -504.723387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.723387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.723387 (E_RNA)
where:
Base-Base interactions energy: -323.942
where: short stacking energy: -156.079
Base-Backbone interact. energy: -0.276
local terms energy: -180.505608
where:
bonds (distance) C4'-P energy: -45.131
bonds (distance) P-C4' energy: -30.155
flat angles C4'-P-C4' energy: -38.902
flat angles P-C4'-P energy: -19.420
tors. eta vs tors. theta energy: -46.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -425.723165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.723165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.723165 (E_RNA)
where:
Base-Base interactions energy: -264.683
where: short stacking energy: -141.645
Base-Backbone interact. energy: -0.826
local terms energy: -160.214106
where:
bonds (distance) C4'-P energy: -30.694
bonds (distance) P-C4' energy: -35.555
flat angles C4'-P-C4' energy: -29.841
flat angles P-C4'-P energy: -23.729
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: 8, replica: 3
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -200.677524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.677524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.677524 (E_RNA)
where:
Base-Base interactions energy: -75.423
where: short stacking energy: -54.464
Base-Backbone interact. energy: -1.388
local terms energy: -123.866844
where:
bonds (distance) C4'-P energy: -23.497
bonds (distance) P-C4' energy: -40.931
flat angles C4'-P-C4' energy: -40.784
flat angles P-C4'-P energy: -19.535
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: 9, replica: 10
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -213.523704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.523704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.523704 (E_RNA)
where:
Base-Base interactions energy: -86.437
where: short stacking energy: -66.253
Base-Backbone interact. energy: -0.787
local terms energy: -126.299128
where:
bonds (distance) C4'-P energy: -39.782
bonds (distance) P-C4' energy: -36.340
flat angles C4'-P-C4' energy: -30.611
flat angles P-C4'-P energy: -20.389
tors. eta vs tors. theta energy: 0.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -190.115295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.115295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.115295 (E_RNA)
where:
Base-Base interactions energy: -60.622
where: short stacking energy: -49.879
Base-Backbone interact. energy: 0.158
local terms energy: -129.651222
where:
bonds (distance) C4'-P energy: -35.749
bonds (distance) P-C4' energy: -37.300
flat angles C4'-P-C4' energy: -29.468
flat angles P-C4'-P energy: -26.716
tors. eta vs tors. theta energy: -0.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -668.407641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.407641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.407641 (E_RNA)
where:
Base-Base interactions energy: -454.894
where: short stacking energy: -206.882
Base-Backbone interact. energy: -0.033
local terms energy: -213.480498
where:
bonds (distance) C4'-P energy: -33.868
bonds (distance) P-C4' energy: -37.035
flat angles C4'-P-C4' energy: -43.008
flat angles P-C4'-P energy: -32.642
tors. eta vs tors. theta energy: -66.928
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: 2
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -632.924225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.924225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.924225 (E_RNA)
where:
Base-Base interactions energy: -427.732
where: short stacking energy: -188.789
Base-Backbone interact. energy: -1.261
local terms energy: -203.931012
where:
bonds (distance) C4'-P energy: -34.268
bonds (distance) P-C4' energy: -39.943
flat angles C4'-P-C4' energy: -42.786
flat angles P-C4'-P energy: -28.045
tors. eta vs tors. theta energy: -58.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -597.963685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.963685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.963685 (E_RNA)
where:
Base-Base interactions energy: -393.160
where: short stacking energy: -195.216
Base-Backbone interact. energy: -0.321
local terms energy: -204.482784
where:
bonds (distance) C4'-P energy: -35.189
bonds (distance) P-C4' energy: -38.296
flat angles C4'-P-C4' energy: -44.021
flat angles P-C4'-P energy: -32.958
tors. eta vs tors. theta energy: -54.018
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: 7
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -588.169328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.169328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.169328 (E_RNA)
where:
Base-Base interactions energy: -368.432
where: short stacking energy: -176.052
Base-Backbone interact. energy: -1.758
local terms energy: -217.979264
where:
bonds (distance) C4'-P energy: -41.390
bonds (distance) P-C4' energy: -39.934
flat angles C4'-P-C4' energy: -46.857
flat angles P-C4'-P energy: -32.142
tors. eta vs tors. theta energy: -57.656
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: 1
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -533.690084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.690084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.690084 (E_RNA)
where:
Base-Base interactions energy: -347.758
where: short stacking energy: -157.401
Base-Backbone interact. energy: 0.241
local terms energy: -186.172659
where:
bonds (distance) C4'-P energy: -39.053
bonds (distance) P-C4' energy: -38.906
flat angles C4'-P-C4' energy: -40.930
flat angles P-C4'-P energy: -22.506
tors. eta vs tors. theta energy: -44.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -510.138678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.138678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.138678 (E_RNA)
where:
Base-Base interactions energy: -335.117
where: short stacking energy: -140.318
Base-Backbone interact. energy: -0.522
local terms energy: -174.499578
where:
bonds (distance) C4'-P energy: -28.412
bonds (distance) P-C4' energy: -41.213
flat angles C4'-P-C4' energy: -40.274
flat angles P-C4'-P energy: -24.963
tors. eta vs tors. theta energy: -39.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -400.912943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.912943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.912943 (E_RNA)
where:
Base-Base interactions energy: -245.195
where: short stacking energy: -125.212
Base-Backbone interact. energy: 1.063
local terms energy: -156.781374
where:
bonds (distance) C4'-P energy: -25.592
bonds (distance) P-C4' energy: -34.527
flat angles C4'-P-C4' energy: -39.456
flat angles P-C4'-P energy: -24.995
tors. eta vs tors. theta energy: -32.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -217.335524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.335524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.335524 (E_RNA)
where:
Base-Base interactions energy: -93.207
where: short stacking energy: -69.020
Base-Backbone interact. energy: -0.433
local terms energy: -123.695368
where:
bonds (distance) C4'-P energy: -33.635
bonds (distance) P-C4' energy: -34.004
flat angles C4'-P-C4' energy: -29.238
flat angles P-C4'-P energy: -12.977
tors. eta vs tors. theta energy: -13.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -176.971723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.971723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.971723 (E_RNA)
where:
Base-Base interactions energy: -60.970
where: short stacking energy: -54.857
Base-Backbone interact. energy: -1.791
local terms energy: -114.209776
where:
bonds (distance) C4'-P energy: -35.983
bonds (distance) P-C4' energy: -29.352
flat angles C4'-P-C4' energy: -32.463
flat angles P-C4'-P energy: -13.939
tors. eta vs tors. theta energy: -2.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -156.839729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.839729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.839729 (E_RNA)
where:
Base-Base interactions energy: -68.015
where: short stacking energy: -52.789
Base-Backbone interact. energy: -0.244
local terms energy: -88.580612
where:
bonds (distance) C4'-P energy: -26.621
bonds (distance) P-C4' energy: -27.671
flat angles C4'-P-C4' energy: -32.359
flat angles P-C4'-P energy: -13.602
tors. eta vs tors. theta energy: 11.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -663.192454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.192454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.192454 (E_RNA)
where:
Base-Base interactions energy: -440.847
where: short stacking energy: -207.179
Base-Backbone interact. energy: -0.089
local terms energy: -222.257103
where:
bonds (distance) C4'-P energy: -39.195
bonds (distance) P-C4' energy: -42.429
flat angles C4'-P-C4' energy: -43.678
flat angles P-C4'-P energy: -32.295
tors. eta vs tors. theta energy: -64.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -640.550399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.550399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.550399 (E_RNA)
where:
Base-Base interactions energy: -427.239
where: short stacking energy: -188.294
Base-Backbone interact. energy: -0.355
local terms energy: -212.956768
where:
bonds (distance) C4'-P energy: -37.707
bonds (distance) P-C4' energy: -41.840
flat angles C4'-P-C4' energy: -42.982
flat angles P-C4'-P energy: -31.845
tors. eta vs tors. theta energy: -58.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -592.962721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.962721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.962721 (E_RNA)
where:
Base-Base interactions energy: -396.467
where: short stacking energy: -181.418
Base-Backbone interact. energy: -1.311
local terms energy: -195.185139
where:
bonds (distance) C4'-P energy: -37.559
bonds (distance) P-C4' energy: -35.361
flat angles C4'-P-C4' energy: -42.486
flat angles P-C4'-P energy: -25.473
tors. eta vs tors. theta energy: -54.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -564.534016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.534016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.534016 (E_RNA)
where:
Base-Base interactions energy: -380.126
where: short stacking energy: -159.273
Base-Backbone interact. energy: 0.536
local terms energy: -184.943530
where:
bonds (distance) C4'-P energy: -30.996
bonds (distance) P-C4' energy: -39.738
flat angles C4'-P-C4' energy: -41.607
flat angles P-C4'-P energy: -30.439
tors. eta vs tors. theta energy: -42.163
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: 7
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -562.569652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.569652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.569652 (E_RNA)
where:
Base-Base interactions energy: -356.984
where: short stacking energy: -174.280
Base-Backbone interact. energy: 1.556
local terms energy: -207.141727
where:
bonds (distance) C4'-P energy: -40.225
bonds (distance) P-C4' energy: -28.206
flat angles C4'-P-C4' energy: -48.021
flat angles P-C4'-P energy: -29.797
tors. eta vs tors. theta energy: -60.893
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: 9
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -489.970754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.970754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.970754 (E_RNA)
where:
Base-Base interactions energy: -307.882
where: short stacking energy: -145.221
Base-Backbone interact. energy: -0.731
local terms energy: -181.357729
where:
bonds (distance) C4'-P energy: -36.748
bonds (distance) P-C4' energy: -39.757
flat angles C4'-P-C4' energy: -38.972
flat angles P-C4'-P energy: -18.106
tors. eta vs tors. theta energy: -47.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -397.890981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.890981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.890981 (E_RNA)
where:
Base-Base interactions energy: -232.969
where: short stacking energy: -103.613
Base-Backbone interact. energy: -1.322
local terms energy: -163.599363
where:
bonds (distance) C4'-P energy: -40.039
bonds (distance) P-C4' energy: -43.606
flat angles C4'-P-C4' energy: -31.171
flat angles P-C4'-P energy: -27.423
tors. eta vs tors. theta energy: -21.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -231.505785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.505785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.505785 (E_RNA)
where:
Base-Base interactions energy: -95.980
where: short stacking energy: -61.371
Base-Backbone interact. energy: -0.779
local terms energy: -134.747176
where:
bonds (distance) C4'-P energy: -39.840
bonds (distance) P-C4' energy: -37.316
flat angles C4'-P-C4' energy: -34.391
flat angles P-C4'-P energy: -17.470
tors. eta vs tors. theta energy: -5.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -184.835619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.835619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.835619 (E_RNA)
where:
Base-Base interactions energy: -60.796
where: short stacking energy: -45.403
Base-Backbone interact. energy: -1.429
local terms energy: -122.610174
where:
bonds (distance) C4'-P energy: -33.016
bonds (distance) P-C4' energy: -33.791
flat angles C4'-P-C4' energy: -28.529
flat angles P-C4'-P energy: -20.869
tors. eta vs tors. theta energy: -6.405
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: 375
Temperature: 1.350000
Total energy: -150.766472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.766472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.766472 (E_RNA)
where:
Base-Base interactions energy: -51.955
where: short stacking energy: -28.147
Base-Backbone interact. energy: -1.310
local terms energy: -97.500757
where:
bonds (distance) C4'-P energy: -32.970
bonds (distance) P-C4' energy: -28.546
flat angles C4'-P-C4' energy: -20.955
flat angles P-C4'-P energy: -22.956
tors. eta vs tors. theta energy: 7.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -674.520675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.520675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.520675 (E_RNA)
where:
Base-Base interactions energy: -448.260
where: short stacking energy: -202.405
Base-Backbone interact. energy: -1.034
local terms energy: -225.226237
where:
bonds (distance) C4'-P energy: -39.306
bonds (distance) P-C4' energy: -40.554
flat angles C4'-P-C4' energy: -49.212
flat angles P-C4'-P energy: -31.426
tors. eta vs tors. theta energy: -64.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -637.307602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.307602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.307602 (E_RNA)
where:
Base-Base interactions energy: -423.306
where: short stacking energy: -181.990
Base-Backbone interact. energy: -2.623
local terms energy: -211.378349
where:
bonds (distance) C4'-P energy: -40.324
bonds (distance) P-C4' energy: -35.860
flat angles C4'-P-C4' energy: -43.383
flat angles P-C4'-P energy: -30.209
tors. eta vs tors. theta energy: -61.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -592.562043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.562043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.562043 (E_RNA)
where:
Base-Base interactions energy: -391.994
where: short stacking energy: -170.791
Base-Backbone interact. energy: -0.876
local terms energy: -199.692296
where:
bonds (distance) C4'-P energy: -40.742
bonds (distance) P-C4' energy: -42.092
flat angles C4'-P-C4' energy: -38.925
flat angles P-C4'-P energy: -23.435
tors. eta vs tors. theta energy: -54.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -595.912832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.912832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.912832 (E_RNA)
where:
Base-Base interactions energy: -384.509
where: short stacking energy: -182.971
Base-Backbone interact. energy: -0.168
local terms energy: -211.235786
where:
bonds (distance) C4'-P energy: -37.893
bonds (distance) P-C4' energy: -41.577
flat angles C4'-P-C4' energy: -42.485
flat angles P-C4'-P energy: -28.200
tors. eta vs tors. theta energy: -61.081
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: 9
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -516.136023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.136023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.136023 (E_RNA)
where:
Base-Base interactions energy: -335.145
where: short stacking energy: -167.440
Base-Backbone interact. energy: -0.858
local terms energy: -180.132346
where:
bonds (distance) C4'-P energy: -36.274
bonds (distance) P-C4' energy: -30.410
flat angles C4'-P-C4' energy: -39.075
flat angles P-C4'-P energy: -31.015
tors. eta vs tors. theta energy: -43.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -541.183042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.183042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.183042 (E_RNA)
where:
Base-Base interactions energy: -347.643
where: short stacking energy: -159.902
Base-Backbone interact. energy: -0.846
local terms energy: -192.693413
where:
bonds (distance) C4'-P energy: -37.573
bonds (distance) P-C4' energy: -41.004
flat angles C4'-P-C4' energy: -40.539
flat angles P-C4'-P energy: -26.068
tors. eta vs tors. theta energy: -47.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -392.802932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.802932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.802932 (E_RNA)
where:
Base-Base interactions energy: -252.463
where: short stacking energy: -112.202
Base-Backbone interact. energy: -1.083
local terms energy: -139.256842
where:
bonds (distance) C4'-P energy: -40.728
bonds (distance) P-C4' energy: -29.029
flat angles C4'-P-C4' energy: -40.924
flat angles P-C4'-P energy: -22.747
tors. eta vs tors. theta energy: -5.828
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: 10
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -201.885706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.885706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.885706 (E_RNA)
where:
Base-Base interactions energy: -86.834
where: short stacking energy: -54.480
Base-Backbone interact. energy: 3.738
local terms energy: -118.789237
where:
bonds (distance) C4'-P energy: -38.681
bonds (distance) P-C4' energy: -37.607
flat angles C4'-P-C4' energy: -29.337
flat angles P-C4'-P energy: -18.173
tors. eta vs tors. theta energy: 5.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -195.067586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.067586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.067586 (E_RNA)
where:
Base-Base interactions energy: -89.668
where: short stacking energy: -54.074
Base-Backbone interact. energy: -0.320
local terms energy: -105.080119
where:
bonds (distance) C4'-P energy: -31.826
bonds (distance) P-C4' energy: -27.052
flat angles C4'-P-C4' energy: -29.353
flat angles P-C4'-P energy: -14.093
tors. eta vs tors. theta energy: -2.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -188.399682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.399682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.399682 (E_RNA)
where:
Base-Base interactions energy: -65.760
where: short stacking energy: -54.633
Base-Backbone interact. energy: -0.584
local terms energy: -122.055848
where:
bonds (distance) C4'-P energy: -36.663
bonds (distance) P-C4' energy: -30.172
flat angles C4'-P-C4' energy: -38.361
flat angles P-C4'-P energy: -16.410
tors. eta vs tors. theta energy: -0.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -675.797690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.797690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.797690 (E_RNA)
where:
Base-Base interactions energy: -454.779
where: short stacking energy: -210.552
Base-Backbone interact. energy: 0.086
local terms energy: -221.104498
where:
bonds (distance) C4'-P energy: -38.148
bonds (distance) P-C4' energy: -42.031
flat angles C4'-P-C4' energy: -42.508
flat angles P-C4'-P energy: -36.838
tors. eta vs tors. theta energy: -61.580
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: 2, replica: 2
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -643.366209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.366209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.366209 (E_RNA)
where:
Base-Base interactions energy: -428.864
where: short stacking energy: -187.170
Base-Backbone interact. energy: -0.054
local terms energy: -214.448700
where:
bonds (distance) C4'-P energy: -42.663
bonds (distance) P-C4' energy: -35.885
flat angles C4'-P-C4' energy: -47.652
flat angles P-C4'-P energy: -26.425
tors. eta vs tors. theta energy: -61.825
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: 1
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -587.065661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.065661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.065661 (E_RNA)
where:
Base-Base interactions energy: -376.703
where: short stacking energy: -177.044
Base-Backbone interact. energy: -0.315
local terms energy: -210.047885
where:
bonds (distance) C4'-P energy: -39.554
bonds (distance) P-C4' energy: -37.522
flat angles C4'-P-C4' energy: -48.058
flat angles P-C4'-P energy: -28.241
tors. eta vs tors. theta energy: -56.673
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: 8
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -579.443531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.443531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.443531 (E_RNA)
where:
Base-Base interactions energy: -372.612
where: short stacking energy: -184.504
Base-Backbone interact. energy: -0.338
local terms energy: -206.493668
where:
bonds (distance) C4'-P energy: -34.306
bonds (distance) P-C4' energy: -39.069
flat angles C4'-P-C4' energy: -45.230
flat angles P-C4'-P energy: -31.103
tors. eta vs tors. theta energy: -56.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -525.115487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.115487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.115487 (E_RNA)
where:
Base-Base interactions energy: -346.032
where: short stacking energy: -168.286
Base-Backbone interact. energy: -0.834
local terms energy: -178.249636
where:
bonds (distance) C4'-P energy: -36.524
bonds (distance) P-C4' energy: -26.885
flat angles C4'-P-C4' energy: -37.603
flat angles P-C4'-P energy: -33.418
tors. eta vs tors. theta energy: -43.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -534.932840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.932840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.932840 (E_RNA)
where:
Base-Base interactions energy: -355.736
where: short stacking energy: -161.108
Base-Backbone interact. energy: -0.286
local terms energy: -178.911194
where:
bonds (distance) C4'-P energy: -26.246
bonds (distance) P-C4' energy: -31.356
flat angles C4'-P-C4' energy: -46.825
flat angles P-C4'-P energy: -26.715
tors. eta vs tors. theta energy: -47.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -390.846477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.846477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.846477 (E_RNA)
where:
Base-Base interactions energy: -238.539
where: short stacking energy: -118.194
Base-Backbone interact. energy: 1.031
local terms energy: -153.338246
where:
bonds (distance) C4'-P energy: -28.819
bonds (distance) P-C4' energy: -37.337
flat angles C4'-P-C4' energy: -43.051
flat angles P-C4'-P energy: -18.747
tors. eta vs tors. theta energy: -25.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -200.831224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.831224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.831224 (E_RNA)
where:
Base-Base interactions energy: -66.728
where: short stacking energy: -40.579
Base-Backbone interact. energy: -0.418
local terms energy: -133.685715
where:
bonds (distance) C4'-P energy: -34.122
bonds (distance) P-C4' energy: -41.329
flat angles C4'-P-C4' energy: -33.755
flat angles P-C4'-P energy: -20.849
tors. eta vs tors. theta energy: -3.631
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: 10
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -173.114381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.114381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.114381 (E_RNA)
where:
Base-Base interactions energy: -74.739
where: short stacking energy: -55.146
Base-Backbone interact. energy: 0.151
local terms energy: -98.526613
where:
bonds (distance) C4'-P energy: -27.978
bonds (distance) P-C4' energy: -30.672
flat angles C4'-P-C4' energy: -25.002
flat angles P-C4'-P energy: -15.780
tors. eta vs tors. theta energy: 0.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -168.546223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.546223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.546223 (E_RNA)
where:
Base-Base interactions energy: -58.334
where: short stacking energy: -39.440
Base-Backbone interact. energy: -0.463
local terms energy: -109.750018
where:
bonds (distance) C4'-P energy: -43.582
bonds (distance) P-C4' energy: -37.971
flat angles C4'-P-C4' energy: -29.223
flat angles P-C4'-P energy: -14.590
tors. eta vs tors. theta energy: 15.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -669.501427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.501427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.501427 (E_RNA)
where:
Base-Base interactions energy: -451.789
where: short stacking energy: -220.914
Base-Backbone interact. energy: -0.341
local terms energy: -217.370949
where:
bonds (distance) C4'-P energy: -33.963
bonds (distance) P-C4' energy: -39.553
flat angles C4'-P-C4' energy: -49.964
flat angles P-C4'-P energy: -25.757
tors. eta vs tors. theta energy: -68.133
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: 2, replica: 2
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -648.557268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.557268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.557268 (E_RNA)
where:
Base-Base interactions energy: -433.823
where: short stacking energy: -189.241
Base-Backbone interact. energy: -0.486
local terms energy: -214.248107
where:
bonds (distance) C4'-P energy: -47.049
bonds (distance) P-C4' energy: -44.783
flat angles C4'-P-C4' energy: -35.297
flat angles P-C4'-P energy: -29.211
tors. eta vs tors. theta energy: -57.908
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: 1
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -580.567753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.567753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.567753 (E_RNA)
where:
Base-Base interactions energy: -382.690
where: short stacking energy: -162.966
Base-Backbone interact. energy: 2.002
local terms energy: -199.878943
where:
bonds (distance) C4'-P energy: -47.543
bonds (distance) P-C4' energy: -36.809
flat angles C4'-P-C4' energy: -37.864
flat angles P-C4'-P energy: -26.050
tors. eta vs tors. theta energy: -51.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -570.846879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.846879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.846879 (E_RNA)
where:
Base-Base interactions energy: -362.736
where: short stacking energy: -181.139
Base-Backbone interact. energy: 1.175
local terms energy: -209.286042
where:
bonds (distance) C4'-P energy: -37.169
bonds (distance) P-C4' energy: -41.302
flat angles C4'-P-C4' energy: -45.636
flat angles P-C4'-P energy: -29.677
tors. eta vs tors. theta energy: -55.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -544.120955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.120955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.120955 (E_RNA)
where:
Base-Base interactions energy: -356.801
where: short stacking energy: -179.810
Base-Backbone interact. energy: -0.269
local terms energy: -187.050647
where:
bonds (distance) C4'-P energy: -35.986
bonds (distance) P-C4' energy: -37.525
flat angles C4'-P-C4' energy: -28.248
flat angles P-C4'-P energy: -26.461
tors. eta vs tors. theta energy: -58.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -505.094329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.094329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.094329 (E_RNA)
where:
Base-Base interactions energy: -338.149
where: short stacking energy: -154.815
Base-Backbone interact. energy: 0.190
local terms energy: -167.135802
where:
bonds (distance) C4'-P energy: -29.710
bonds (distance) P-C4' energy: -30.455
flat angles C4'-P-C4' energy: -40.698
flat angles P-C4'-P energy: -25.090
tors. eta vs tors. theta energy: -41.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -406.736033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.736033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.736033 (E_RNA)
where:
Base-Base interactions energy: -250.839
where: short stacking energy: -121.313
Base-Backbone interact. energy: -1.466
local terms energy: -154.431106
where:
bonds (distance) C4'-P energy: -41.465
bonds (distance) P-C4' energy: -31.171
flat angles C4'-P-C4' energy: -37.603
flat angles P-C4'-P energy: -19.199
tors. eta vs tors. theta energy: -24.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -199.646428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.646428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.646428 (E_RNA)
where:
Base-Base interactions energy: -96.750
where: short stacking energy: -47.986
Base-Backbone interact. energy: -0.371
local terms energy: -102.525102
where:
bonds (distance) C4'-P energy: -27.527
bonds (distance) P-C4' energy: -40.037
flat angles C4'-P-C4' energy: -32.897
flat angles P-C4'-P energy: -10.455
tors. eta vs tors. theta energy: 8.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -178.005089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.005089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.005089 (E_RNA)
where:
Base-Base interactions energy: -59.189
where: short stacking energy: -59.189
Base-Backbone interact. energy: -0.419
local terms energy: -118.397096
where:
bonds (distance) C4'-P energy: -33.426
bonds (distance) P-C4' energy: -39.306
flat angles C4'-P-C4' energy: -31.938
flat angles P-C4'-P energy: -14.130
tors. eta vs tors. theta energy: 0.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -179.071255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.071255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.071255 (E_RNA)
where:
Base-Base interactions energy: -62.172
where: short stacking energy: -58.420
Base-Backbone interact. energy: -0.412
local terms energy: -116.486852
where:
bonds (distance) C4'-P energy: -40.199
bonds (distance) P-C4' energy: -30.660
flat angles C4'-P-C4' energy: -37.455
flat angles P-C4'-P energy: -10.275
tors. eta vs tors. theta energy: 2.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -673.643936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.643936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.643936 (E_RNA)
where:
Base-Base interactions energy: -451.474
where: short stacking energy: -208.917
Base-Backbone interact. energy: -0.315
local terms energy: -221.854504
where:
bonds (distance) C4'-P energy: -44.074
bonds (distance) P-C4' energy: -41.538
flat angles C4'-P-C4' energy: -42.304
flat angles P-C4'-P energy: -30.923
tors. eta vs tors. theta energy: -63.015
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: 2, replica: 2
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -627.877302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.877302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.877302 (E_RNA)
where:
Base-Base interactions energy: -426.902
where: short stacking energy: -194.394
Base-Backbone interact. energy: -0.025
local terms energy: -200.950280
where:
bonds (distance) C4'-P energy: -41.381
bonds (distance) P-C4' energy: -42.670
flat angles C4'-P-C4' energy: -35.161
flat angles P-C4'-P energy: -23.530
tors. eta vs tors. theta energy: -58.209
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: 1
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -595.640737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.640737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.640737 (E_RNA)
where:
Base-Base interactions energy: -388.092
where: short stacking energy: -174.047
Base-Backbone interact. energy: -1.552
local terms energy: -205.996788
where:
bonds (distance) C4'-P energy: -37.651
bonds (distance) P-C4' energy: -39.705
flat angles C4'-P-C4' energy: -36.624
flat angles P-C4'-P energy: -36.838
tors. eta vs tors. theta energy: -55.178
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: 8
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -576.783441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.783441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.783441 (E_RNA)
where:
Base-Base interactions energy: -380.363
where: short stacking energy: -175.894
Base-Backbone interact. energy: -0.211
local terms energy: -196.208681
where:
bonds (distance) C4'-P energy: -37.810
bonds (distance) P-C4' energy: -37.528
flat angles C4'-P-C4' energy: -42.838
flat angles P-C4'-P energy: -24.518
tors. eta vs tors. theta energy: -53.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -511.156894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.156894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.156894 (E_RNA)
where:
Base-Base interactions energy: -338.110
where: short stacking energy: -176.323
Base-Backbone interact. energy: -1.323
local terms energy: -171.723657
where:
bonds (distance) C4'-P energy: -29.737
bonds (distance) P-C4' energy: -30.708
flat angles C4'-P-C4' energy: -36.886
flat angles P-C4'-P energy: -29.142
tors. eta vs tors. theta energy: -45.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -490.482473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.482473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.482473 (E_RNA)
where:
Base-Base interactions energy: -307.865
where: short stacking energy: -145.271
Base-Backbone interact. energy: 1.388
local terms energy: -184.005662
where:
bonds (distance) C4'-P energy: -33.543
bonds (distance) P-C4' energy: -40.216
flat angles C4'-P-C4' energy: -35.258
flat angles P-C4'-P energy: -27.651
tors. eta vs tors. theta energy: -47.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -358.419736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.419736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.419736 (E_RNA)
where:
Base-Base interactions energy: -212.667
where: short stacking energy: -89.649
Base-Backbone interact. energy: -0.278
local terms energy: -145.474082
where:
bonds (distance) C4'-P energy: -33.322
bonds (distance) P-C4' energy: -35.393
flat angles C4'-P-C4' energy: -28.165
flat angles P-C4'-P energy: -22.675
tors. eta vs tors. theta energy: -25.919
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: 3
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -212.877333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.877333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.877333 (E_RNA)
where:
Base-Base interactions energy: -88.142
where: short stacking energy: -55.829
Base-Backbone interact. energy: -1.038
local terms energy: -123.697765
where:
bonds (distance) C4'-P energy: -29.253
bonds (distance) P-C4' energy: -39.466
flat angles C4'-P-C4' energy: -30.456
flat angles P-C4'-P energy: -22.374
tors. eta vs tors. theta energy: -2.149
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: 5
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -177.639898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.639898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.639898 (E_RNA)
where:
Base-Base interactions energy: -64.156
where: short stacking energy: -51.700
Base-Backbone interact. energy: 3.469
local terms energy: -116.952104
where:
bonds (distance) C4'-P energy: -40.550
bonds (distance) P-C4' energy: -38.807
flat angles C4'-P-C4' energy: -34.963
flat angles P-C4'-P energy: -10.705
tors. eta vs tors. theta energy: 8.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -167.836592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.836592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.836592 (E_RNA)
where:
Base-Base interactions energy: -52.494
where: short stacking energy: -36.987
Base-Backbone interact. energy: 0.574
local terms energy: -115.917115
where:
bonds (distance) C4'-P energy: -31.457
bonds (distance) P-C4' energy: -41.426
flat angles C4'-P-C4' energy: -26.365
flat angles P-C4'-P energy: -17.355
tors. eta vs tors. theta energy: 0.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -678.431659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.431659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.431659 (E_RNA)
where:
Base-Base interactions energy: -454.609
where: short stacking energy: -202.101
Base-Backbone interact. energy: 0.487
local terms energy: -224.310320
where:
bonds (distance) C4'-P energy: -40.825
bonds (distance) P-C4' energy: -41.270
flat angles C4'-P-C4' energy: -44.439
flat angles P-C4'-P energy: -30.325
tors. eta vs tors. theta energy: -67.452
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: 2
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -644.221132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.221132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.221132 (E_RNA)
where:
Base-Base interactions energy: -432.641
where: short stacking energy: -194.565
Base-Backbone interact. energy: -0.091
local terms energy: -211.489913
where:
bonds (distance) C4'-P energy: -43.627
bonds (distance) P-C4' energy: -34.647
flat angles C4'-P-C4' energy: -43.354
flat angles P-C4'-P energy: -28.289
tors. eta vs tors. theta energy: -61.573
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: 1
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -603.695570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.695570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.695570 (E_RNA)
where:
Base-Base interactions energy: -406.296
where: short stacking energy: -182.253
Base-Backbone interact. energy: -0.139
local terms energy: -197.260206
where:
bonds (distance) C4'-P energy: -36.170
bonds (distance) P-C4' energy: -30.100
flat angles C4'-P-C4' energy: -40.817
flat angles P-C4'-P energy: -27.585
tors. eta vs tors. theta energy: -62.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -583.108268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.108268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.108268 (E_RNA)
where:
Base-Base interactions energy: -378.207
where: short stacking energy: -193.560
Base-Backbone interact. energy: -0.587
local terms energy: -204.314186
where:
bonds (distance) C4'-P energy: -36.607
bonds (distance) P-C4' energy: -35.983
flat angles C4'-P-C4' energy: -41.278
flat angles P-C4'-P energy: -29.063
tors. eta vs tors. theta energy: -61.383
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: 9
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -535.357116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.357116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.357116 (E_RNA)
where:
Base-Base interactions energy: -341.926
where: short stacking energy: -161.679
Base-Backbone interact. energy: -0.361
local terms energy: -193.069636
where:
bonds (distance) C4'-P energy: -33.483
bonds (distance) P-C4' energy: -41.207
flat angles C4'-P-C4' energy: -46.959
flat angles P-C4'-P energy: -22.024
tors. eta vs tors. theta energy: -49.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -480.876249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.876249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.876249 (E_RNA)
where:
Base-Base interactions energy: -302.701
where: short stacking energy: -136.232
Base-Backbone interact. energy: -0.646
local terms energy: -177.529131
where:
bonds (distance) C4'-P energy: -39.811
bonds (distance) P-C4' energy: -36.494
flat angles C4'-P-C4' energy: -40.995
flat angles P-C4'-P energy: -23.754
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: 7, replica: 6
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -383.070680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.070680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.070680 (E_RNA)
where:
Base-Base interactions energy: -238.902
where: short stacking energy: -116.849
Base-Backbone interact. energy: -0.770
local terms energy: -143.398970
where:
bonds (distance) C4'-P energy: -27.156
bonds (distance) P-C4' energy: -37.006
flat angles C4'-P-C4' energy: -36.060
flat angles P-C4'-P energy: -15.311
tors. eta vs tors. theta energy: -27.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -232.001917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.001917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.001917 (E_RNA)
where:
Base-Base interactions energy: -101.198
where: short stacking energy: -73.268
Base-Backbone interact. energy: 0.619
local terms energy: -131.423245
where:
bonds (distance) C4'-P energy: -34.425
bonds (distance) P-C4' energy: -39.329
flat angles C4'-P-C4' energy: -31.378
flat angles P-C4'-P energy: -14.216
tors. eta vs tors. theta energy: -12.075
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: 9, replica: 5
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -177.075741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.075741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.075741 (E_RNA)
where:
Base-Base interactions energy: -56.944
where: short stacking energy: -33.603
Base-Backbone interact. energy: -1.117
local terms energy: -119.014657
where:
bonds (distance) C4'-P energy: -37.209
bonds (distance) P-C4' energy: -31.433
flat angles C4'-P-C4' energy: -33.029
flat angles P-C4'-P energy: -15.025
tors. eta vs tors. theta energy: -2.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -171.078982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.078982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.078982 (E_RNA)
where:
Base-Base interactions energy: -53.750
where: short stacking energy: -49.407
Base-Backbone interact. energy: -0.916
local terms energy: -116.413133
where:
bonds (distance) C4'-P energy: -34.515
bonds (distance) P-C4' energy: -39.800
flat angles C4'-P-C4' energy: -25.695
flat angles P-C4'-P energy: -15.470
tors. eta vs tors. theta energy: -0.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -671.671770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.671770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.671770 (E_RNA)
where:
Base-Base interactions energy: -457.651
where: short stacking energy: -204.113
Base-Backbone interact. energy: -1.068
local terms energy: -212.952317
where:
bonds (distance) C4'-P energy: -43.069
bonds (distance) P-C4' energy: -31.262
flat angles C4'-P-C4' energy: -47.220
flat angles P-C4'-P energy: -26.377
tors. eta vs tors. theta energy: -65.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -643.090482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.090482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.090482 (E_RNA)
where:
Base-Base interactions energy: -433.196
where: short stacking energy: -192.652
Base-Backbone interact. energy: -0.270
local terms energy: -209.624940
where:
bonds (distance) C4'-P energy: -38.936
bonds (distance) P-C4' energy: -35.476
flat angles C4'-P-C4' energy: -44.855
flat angles P-C4'-P energy: -33.794
tors. eta vs tors. theta energy: -56.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -579.986661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.986661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.986661 (E_RNA)
where:
Base-Base interactions energy: -379.832
where: short stacking energy: -168.763
Base-Backbone interact. energy: -1.305
local terms energy: -198.849226
where:
bonds (distance) C4'-P energy: -38.413
bonds (distance) P-C4' energy: -37.891
flat angles C4'-P-C4' energy: -35.182
flat angles P-C4'-P energy: -36.129
tors. eta vs tors. theta energy: -51.234
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: 4, replica: 8
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -573.566901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.566901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.566901 (E_RNA)
where:
Base-Base interactions energy: -371.482
where: short stacking energy: -184.177
Base-Backbone interact. energy: 0.279
local terms energy: -202.363981
where:
bonds (distance) C4'-P energy: -35.060
bonds (distance) P-C4' energy: -36.620
flat angles C4'-P-C4' energy: -41.153
flat angles P-C4'-P energy: -34.128
tors. eta vs tors. theta energy: -55.402
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: 9
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -545.318898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.318898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.318898 (E_RNA)
where:
Base-Base interactions energy: -344.562
where: short stacking energy: -169.626
Base-Backbone interact. energy: 0.069
local terms energy: -200.826023
where:
bonds (distance) C4'-P energy: -36.827
bonds (distance) P-C4' energy: -36.999
flat angles C4'-P-C4' energy: -41.593
flat angles P-C4'-P energy: -30.168
tors. eta vs tors. theta energy: -55.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -519.632526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.632526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.632526 (E_RNA)
where:
Base-Base interactions energy: -341.061
where: short stacking energy: -168.099
Base-Backbone interact. energy: 0.104
local terms energy: -178.675518
where:
bonds (distance) C4'-P energy: -39.149
bonds (distance) P-C4' energy: -27.315
flat angles C4'-P-C4' energy: -41.946
flat angles P-C4'-P energy: -27.506
tors. eta vs tors. theta energy: -42.760
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: 381
Temperature: 1.200000
Total energy: -322.958842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.958842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.958842 (E_RNA)
where:
Base-Base interactions energy: -174.169
where: short stacking energy: -98.279
Base-Backbone interact. energy: -1.947
local terms energy: -146.843007
where:
bonds (distance) C4'-P energy: -33.304
bonds (distance) P-C4' energy: -34.058
flat angles C4'-P-C4' energy: -31.182
flat angles P-C4'-P energy: -26.038
tors. eta vs tors. theta energy: -22.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -184.092200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.092200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.092200 (E_RNA)
where:
Base-Base interactions energy: -54.897
where: short stacking energy: -41.707
Base-Backbone interact. energy: -0.982
local terms energy: -128.213021
where:
bonds (distance) C4'-P energy: -29.759
bonds (distance) P-C4' energy: -36.182
flat angles C4'-P-C4' energy: -41.432
flat angles P-C4'-P energy: -26.945
tors. eta vs tors. theta energy: 6.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -191.517107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.517107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.517107 (E_RNA)
where:
Base-Base interactions energy: -73.168
where: short stacking energy: -60.222
Base-Backbone interact. energy: -1.487
local terms energy: -116.861628
where:
bonds (distance) C4'-P energy: -39.885
bonds (distance) P-C4' energy: -31.532
flat angles C4'-P-C4' energy: -35.603
flat angles P-C4'-P energy: -13.978
tors. eta vs tors. theta energy: 4.136
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: 10
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -158.349343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.349343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.349343 (E_RNA)
where:
Base-Base interactions energy: -67.855
where: short stacking energy: -34.339
Base-Backbone interact. energy: -1.527
local terms energy: -88.967242
where:
bonds (distance) C4'-P energy: -25.226
bonds (distance) P-C4' energy: -35.213
flat angles C4'-P-C4' energy: -25.926
flat angles P-C4'-P energy: -14.902
tors. eta vs tors. theta energy: 12.299
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: 1, replica: 2
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -635.180990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.180990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.180990 (E_RNA)
where:
Base-Base interactions energy: -441.068
where: short stacking energy: -181.835
Base-Backbone interact. energy: 1.033
local terms energy: -195.145720
where:
bonds (distance) C4'-P energy: -37.983
bonds (distance) P-C4' energy: -37.194
flat angles C4'-P-C4' energy: -42.463
flat angles P-C4'-P energy: -23.201
tors. eta vs tors. theta energy: -54.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -650.750010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.750010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.750010 (E_RNA)
where:
Base-Base interactions energy: -422.261
where: short stacking energy: -194.557
Base-Backbone interact. energy: -0.991
local terms energy: -227.498631
where:
bonds (distance) C4'-P energy: -37.567
bonds (distance) P-C4' energy: -48.187
flat angles C4'-P-C4' energy: -43.897
flat angles P-C4'-P energy: -31.306
tors. eta vs tors. theta energy: -66.542
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: 1
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -589.492393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.492393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.492393 (E_RNA)
where:
Base-Base interactions energy: -381.760
where: short stacking energy: -173.760
Base-Backbone interact. energy: -0.118
local terms energy: -207.614278
where:
bonds (distance) C4'-P energy: -41.576
bonds (distance) P-C4' energy: -37.886
flat angles C4'-P-C4' energy: -37.625
flat angles P-C4'-P energy: -35.448
tors. eta vs tors. theta energy: -55.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -564.333770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.333770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.333770 (E_RNA)
where:
Base-Base interactions energy: -377.858
where: short stacking energy: -172.961
Base-Backbone interact. energy: -0.444
local terms energy: -186.031886
where:
bonds (distance) C4'-P energy: -33.934
bonds (distance) P-C4' energy: -44.622
flat angles C4'-P-C4' energy: -38.962
flat angles P-C4'-P energy: -25.912
tors. eta vs tors. theta energy: -42.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -535.484493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.484493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.484493 (E_RNA)
where:
Base-Base interactions energy: -341.690
where: short stacking energy: -159.533
Base-Backbone interact. energy: -0.361
local terms energy: -193.433231
where:
bonds (distance) C4'-P energy: -40.291
bonds (distance) P-C4' energy: -33.129
flat angles C4'-P-C4' energy: -43.589
flat angles P-C4'-P energy: -31.293
tors. eta vs tors. theta energy: -45.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -497.662942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.662942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.662942 (E_RNA)
where:
Base-Base interactions energy: -308.310
where: short stacking energy: -153.343
Base-Backbone interact. energy: -2.029
local terms energy: -187.323676
where:
bonds (distance) C4'-P energy: -34.449
bonds (distance) P-C4' energy: -40.141
flat angles C4'-P-C4' energy: -42.130
flat angles P-C4'-P energy: -26.051
tors. eta vs tors. theta energy: -44.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -317.481251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.481251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.481251 (E_RNA)
where:
Base-Base interactions energy: -165.703
where: short stacking energy: -76.336
Base-Backbone interact. energy: -0.443
local terms energy: -151.335183
where:
bonds (distance) C4'-P energy: -32.931
bonds (distance) P-C4' energy: -42.420
flat angles C4'-P-C4' energy: -35.853
flat angles P-C4'-P energy: -20.179
tors. eta vs tors. theta energy: -19.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -188.805495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.805495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.805495 (E_RNA)
where:
Base-Base interactions energy: -72.455
where: short stacking energy: -44.298
Base-Backbone interact. energy: 0.740
local terms energy: -117.090420
where:
bonds (distance) C4'-P energy: -30.703
bonds (distance) P-C4' energy: -34.111
flat angles C4'-P-C4' energy: -32.819
flat angles P-C4'-P energy: -23.589
tors. eta vs tors. theta energy: 4.131
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: 382
Temperature: 1.300000
Total energy: -203.349145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.349145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.349145 (E_RNA)
where:
Base-Base interactions energy: -69.399
where: short stacking energy: -57.546
Base-Backbone interact. energy: 0.467
local terms energy: -134.416510
where:
bonds (distance) C4'-P energy: -35.648
bonds (distance) P-C4' energy: -38.264
flat angles C4'-P-C4' energy: -36.053
flat angles P-C4'-P energy: -20.471
tors. eta vs tors. theta energy: -3.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -182.008572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.008572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.008572 (E_RNA)
where:
Base-Base interactions energy: -67.717
where: short stacking energy: -60.983
Base-Backbone interact. energy: -0.910
local terms energy: -113.381387
where:
bonds (distance) C4'-P energy: -34.896
bonds (distance) P-C4' energy: -38.654
flat angles C4'-P-C4' energy: -27.628
flat angles P-C4'-P energy: -15.973
tors. eta vs tors. theta energy: 3.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -650.241313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.241313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.241313 (E_RNA)
where:
Base-Base interactions energy: -445.576
where: short stacking energy: -186.095
Base-Backbone interact. energy: -1.643
local terms energy: -203.022198
where:
bonds (distance) C4'-P energy: -35.677
bonds (distance) P-C4' energy: -39.527
flat angles C4'-P-C4' energy: -43.104
flat angles P-C4'-P energy: -31.839
tors. eta vs tors. theta energy: -52.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -637.946030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.946030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.946030 (E_RNA)
where:
Base-Base interactions energy: -421.572
where: short stacking energy: -195.390
Base-Backbone interact. energy: -0.594
local terms energy: -215.779719
where:
bonds (distance) C4'-P energy: -35.223
bonds (distance) P-C4' energy: -43.065
flat angles C4'-P-C4' energy: -42.846
flat angles P-C4'-P energy: -31.383
tors. eta vs tors. theta energy: -63.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -589.586385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.586385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.586385 (E_RNA)
where:
Base-Base interactions energy: -386.515
where: short stacking energy: -175.842
Base-Backbone interact. energy: 2.450
local terms energy: -205.520608
where:
bonds (distance) C4'-P energy: -40.709
bonds (distance) P-C4' energy: -36.741
flat angles C4'-P-C4' energy: -39.171
flat angles P-C4'-P energy: -33.713
tors. eta vs tors. theta energy: -55.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -583.865314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.865314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.865314 (E_RNA)
where:
Base-Base interactions energy: -390.168
where: short stacking energy: -180.798
Base-Backbone interact. energy: -0.534
local terms energy: -193.163073
where:
bonds (distance) C4'-P energy: -33.504
bonds (distance) P-C4' energy: -37.648
flat angles C4'-P-C4' energy: -39.118
flat angles P-C4'-P energy: -30.527
tors. eta vs tors. theta energy: -52.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -581.059835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.059835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.059835 (E_RNA)
where:
Base-Base interactions energy: -380.253
where: short stacking energy: -186.098
Base-Backbone interact. energy: -0.124
local terms energy: -200.682456
where:
bonds (distance) C4'-P energy: -43.458
bonds (distance) P-C4' energy: -36.984
flat angles C4'-P-C4' energy: -39.529
flat angles P-C4'-P energy: -27.105
tors. eta vs tors. theta energy: -53.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -523.269519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.269519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.269519 (E_RNA)
where:
Base-Base interactions energy: -338.471
where: short stacking energy: -148.568
Base-Backbone interact. energy: -2.942
local terms energy: -181.857255
where:
bonds (distance) C4'-P energy: -40.071
bonds (distance) P-C4' energy: -36.665
flat angles C4'-P-C4' energy: -41.891
flat angles P-C4'-P energy: -21.211
tors. eta vs tors. theta energy: -42.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -321.390495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.390495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.390495 (E_RNA)
where:
Base-Base interactions energy: -173.020
where: short stacking energy: -83.411
Base-Backbone interact. energy: -1.070
local terms energy: -147.300487
where:
bonds (distance) C4'-P energy: -29.727
bonds (distance) P-C4' energy: -38.443
flat angles C4'-P-C4' energy: -34.148
flat angles P-C4'-P energy: -26.604
tors. eta vs tors. theta energy: -18.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -208.468106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.468106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.468106 (E_RNA)
where:
Base-Base interactions energy: -72.276
where: short stacking energy: -66.485
Base-Backbone interact. energy: -0.088
local terms energy: -136.104587
where:
bonds (distance) C4'-P energy: -33.919
bonds (distance) P-C4' energy: -35.485
flat angles C4'-P-C4' energy: -41.174
flat angles P-C4'-P energy: -21.469
tors. eta vs tors. theta energy: -4.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -188.588948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.588948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.588948 (E_RNA)
where:
Base-Base interactions energy: -59.816
where: short stacking energy: -53.870
Base-Backbone interact. energy: -0.030
local terms energy: -128.742698
where:
bonds (distance) C4'-P energy: -34.902
bonds (distance) P-C4' energy: -38.281
flat angles C4'-P-C4' energy: -37.086
flat angles P-C4'-P energy: -19.492
tors. eta vs tors. theta energy: 1.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -192.740804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.740804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.740804 (E_RNA)
where:
Base-Base interactions energy: -70.804
where: short stacking energy: -54.478
Base-Backbone interact. energy: 1.889
local terms energy: -123.825916
where:
bonds (distance) C4'-P energy: -37.232
bonds (distance) P-C4' energy: -39.073
flat angles C4'-P-C4' energy: -36.555
flat angles P-C4'-P energy: -15.367
tors. eta vs tors. theta energy: 4.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -662.161215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.161215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.161215 (E_RNA)
where:
Base-Base interactions energy: -441.826
where: short stacking energy: -203.733
Base-Backbone interact. energy: -0.537
local terms energy: -219.797843
where:
bonds (distance) C4'-P energy: -42.548
bonds (distance) P-C4' energy: -40.193
flat angles C4'-P-C4' energy: -44.091
flat angles P-C4'-P energy: -27.437
tors. eta vs tors. theta energy: -65.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -652.747558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.747558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.747558 (E_RNA)
where:
Base-Base interactions energy: -444.668
where: short stacking energy: -196.495
Base-Backbone interact. energy: -0.519
local terms energy: -207.560028
where:
bonds (distance) C4'-P energy: -40.802
bonds (distance) P-C4' energy: -37.463
flat angles C4'-P-C4' energy: -40.307
flat angles P-C4'-P energy: -31.294
tors. eta vs tors. theta energy: -57.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -598.217532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.217532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.217532 (E_RNA)
where:
Base-Base interactions energy: -400.195
where: short stacking energy: -189.329
Base-Backbone interact. energy: -0.315
local terms energy: -197.707946
where:
bonds (distance) C4'-P energy: -31.307
bonds (distance) P-C4' energy: -46.635
flat angles C4'-P-C4' energy: -36.103
flat angles P-C4'-P energy: -29.073
tors. eta vs tors. theta energy: -54.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -574.054004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.054004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.054004 (E_RNA)
where:
Base-Base interactions energy: -375.647
where: short stacking energy: -166.143
Base-Backbone interact. energy: -0.032
local terms energy: -198.375210
where:
bonds (distance) C4'-P energy: -32.022
bonds (distance) P-C4' energy: -42.438
flat angles C4'-P-C4' energy: -42.320
flat angles P-C4'-P energy: -31.364
tors. eta vs tors. theta energy: -50.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -560.325184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.325184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.325184 (E_RNA)
where:
Base-Base interactions energy: -352.514
where: short stacking energy: -186.714
Base-Backbone interact. energy: -0.312
local terms energy: -207.499097
where:
bonds (distance) C4'-P energy: -40.490
bonds (distance) P-C4' energy: -43.857
flat angles C4'-P-C4' energy: -41.350
flat angles P-C4'-P energy: -29.093
tors. eta vs tors. theta energy: -52.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -544.523212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.523212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.523212 (E_RNA)
where:
Base-Base interactions energy: -337.564
where: short stacking energy: -158.380
Base-Backbone interact. energy: -0.572
local terms energy: -206.387135
where:
bonds (distance) C4'-P energy: -32.920
bonds (distance) P-C4' energy: -41.321
flat angles C4'-P-C4' energy: -46.157
flat angles P-C4'-P energy: -33.728
tors. eta vs tors. theta energy: -52.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -377.306174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.306174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.306174 (E_RNA)
where:
Base-Base interactions energy: -218.418
where: short stacking energy: -112.345
Base-Backbone interact. energy: -0.474
local terms energy: -158.414270
where:
bonds (distance) C4'-P energy: -32.035
bonds (distance) P-C4' energy: -37.093
flat angles C4'-P-C4' energy: -34.245
flat angles P-C4'-P energy: -30.246
tors. eta vs tors. theta energy: -24.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -196.248778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.248778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.248778 (E_RNA)
where:
Base-Base interactions energy: -87.724
where: short stacking energy: -80.520
Base-Backbone interact. energy: -1.361
local terms energy: -107.163584
where:
bonds (distance) C4'-P energy: -30.211
bonds (distance) P-C4' energy: -37.073
flat angles C4'-P-C4' energy: -25.766
flat angles P-C4'-P energy: -14.349
tors. eta vs tors. theta energy: 0.235
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: 9, replica: 5
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -179.705496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.705496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.705496 (E_RNA)
where:
Base-Base interactions energy: -59.475
where: short stacking energy: -46.956
Base-Backbone interact. energy: 0.348
local terms energy: -120.578818
where:
bonds (distance) C4'-P energy: -36.919
bonds (distance) P-C4' energy: -34.095
flat angles C4'-P-C4' energy: -31.016
flat angles P-C4'-P energy: -13.969
tors. eta vs tors. theta energy: -4.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -198.979188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.979188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.979188 (E_RNA)
where:
Base-Base interactions energy: -76.959
where: short stacking energy: -50.532
Base-Backbone interact. energy: -0.682
local terms energy: -121.338182
where:
bonds (distance) C4'-P energy: -38.261
bonds (distance) P-C4' energy: -27.722
flat angles C4'-P-C4' energy: -32.191
flat angles P-C4'-P energy: -26.767
tors. eta vs tors. theta energy: 3.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -672.425253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.425253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.425253 (E_RNA)
where:
Base-Base interactions energy: -438.818
where: short stacking energy: -205.656
Base-Backbone interact. energy: -1.604
local terms energy: -232.003211
where:
bonds (distance) C4'-P energy: -44.171
bonds (distance) P-C4' energy: -41.595
flat angles C4'-P-C4' energy: -41.375
flat angles P-C4'-P energy: -38.096
tors. eta vs tors. theta energy: -66.766
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: 2
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -637.197925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.197925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.197925 (E_RNA)
where:
Base-Base interactions energy: -431.333
where: short stacking energy: -187.439
Base-Backbone interact. energy: -0.018
local terms energy: -205.846914
where:
bonds (distance) C4'-P energy: -37.973
bonds (distance) P-C4' energy: -34.924
flat angles C4'-P-C4' energy: -37.904
flat angles P-C4'-P energy: -36.119
tors. eta vs tors. theta energy: -58.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -597.825559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.825559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.825559 (E_RNA)
where:
Base-Base interactions energy: -398.469
where: short stacking energy: -189.741
Base-Backbone interact. energy: -1.232
local terms energy: -198.125191
where:
bonds (distance) C4'-P energy: -34.966
bonds (distance) P-C4' energy: -34.619
flat angles C4'-P-C4' energy: -37.065
flat angles P-C4'-P energy: -29.409
tors. eta vs tors. theta energy: -62.067
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: 8
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -577.632134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.632134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.632134 (E_RNA)
where:
Base-Base interactions energy: -381.631
where: short stacking energy: -174.852
Base-Backbone interact. energy: -0.684
local terms energy: -195.317420
where:
bonds (distance) C4'-P energy: -37.654
bonds (distance) P-C4' energy: -34.726
flat angles C4'-P-C4' energy: -39.073
flat angles P-C4'-P energy: -31.788
tors. eta vs tors. theta energy: -52.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -548.750346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.750346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.750346 (E_RNA)
where:
Base-Base interactions energy: -361.695
where: short stacking energy: -147.741
Base-Backbone interact. energy: -0.288
local terms energy: -186.767946
where:
bonds (distance) C4'-P energy: -32.313
bonds (distance) P-C4' energy: -39.141
flat angles C4'-P-C4' energy: -45.295
flat angles P-C4'-P energy: -24.433
tors. eta vs tors. theta energy: -45.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -515.378813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.378813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.378813 (E_RNA)
where:
Base-Base interactions energy: -330.150
where: short stacking energy: -156.820
Base-Backbone interact. energy: -0.160
local terms energy: -185.068809
where:
bonds (distance) C4'-P energy: -35.405
bonds (distance) P-C4' energy: -38.631
flat angles C4'-P-C4' energy: -39.577
flat angles P-C4'-P energy: -25.998
tors. eta vs tors. theta energy: -45.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -413.610204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.610204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.610204 (E_RNA)
where:
Base-Base interactions energy: -255.254
where: short stacking energy: -122.790
Base-Backbone interact. energy: -0.559
local terms energy: -157.796304
where:
bonds (distance) C4'-P energy: -35.468
bonds (distance) P-C4' energy: -32.628
flat angles C4'-P-C4' energy: -40.525
flat angles P-C4'-P energy: -17.206
tors. eta vs tors. theta energy: -31.969
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: 5
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -202.243196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.243196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.243196 (E_RNA)
where:
Base-Base interactions energy: -79.439
where: short stacking energy: -58.853
Base-Backbone interact. energy: -1.419
local terms energy: -121.385292
where:
bonds (distance) C4'-P energy: -37.637
bonds (distance) P-C4' energy: -33.907
flat angles C4'-P-C4' energy: -24.802
flat angles P-C4'-P energy: -17.501
tors. eta vs tors. theta energy: -7.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -177.939151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.939151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.939151 (E_RNA)
where:
Base-Base interactions energy: -65.574
where: short stacking energy: -56.499
Base-Backbone interact. energy: -0.611
local terms energy: -111.754026
where:
bonds (distance) C4'-P energy: -28.329
bonds (distance) P-C4' energy: -37.181
flat angles C4'-P-C4' energy: -32.837
flat angles P-C4'-P energy: -17.198
tors. eta vs tors. theta energy: 3.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -195.984211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.984211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.984211 (E_RNA)
where:
Base-Base interactions energy: -88.354
where: short stacking energy: -65.323
Base-Backbone interact. energy: -1.671
local terms energy: -105.959277
where:
bonds (distance) C4'-P energy: -28.333
bonds (distance) P-C4' energy: -34.734
flat angles C4'-P-C4' energy: -29.084
flat angles P-C4'-P energy: -10.623
tors. eta vs tors. theta energy: -3.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -673.540300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.540300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.540300 (E_RNA)
where:
Base-Base interactions energy: -453.118
where: short stacking energy: -217.200
Base-Backbone interact. energy: -1.502
local terms energy: -218.919923
where:
bonds (distance) C4'-P energy: -37.367
bonds (distance) P-C4' energy: -41.207
flat angles C4'-P-C4' energy: -44.442
flat angles P-C4'-P energy: -32.044
tors. eta vs tors. theta energy: -63.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -650.400550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.400550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.400550 (E_RNA)
where:
Base-Base interactions energy: -445.008
where: short stacking energy: -198.090
Base-Backbone interact. energy: -0.073
local terms energy: -205.319594
where:
bonds (distance) C4'-P energy: -32.420
bonds (distance) P-C4' energy: -39.863
flat angles C4'-P-C4' energy: -46.590
flat angles P-C4'-P energy: -26.255
tors. eta vs tors. theta energy: -60.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -595.048916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.048916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.048916 (E_RNA)
where:
Base-Base interactions energy: -377.716
where: short stacking energy: -190.796
Base-Backbone interact. energy: -0.104
local terms energy: -217.228633
where:
bonds (distance) C4'-P energy: -41.450
bonds (distance) P-C4' energy: -35.060
flat angles C4'-P-C4' energy: -47.075
flat angles P-C4'-P energy: -32.879
tors. eta vs tors. theta energy: -60.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -584.969085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.969085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.969085 (E_RNA)
where:
Base-Base interactions energy: -390.736
where: short stacking energy: -193.711
Base-Backbone interact. energy: -0.324
local terms energy: -193.908955
where:
bonds (distance) C4'-P energy: -38.752
bonds (distance) P-C4' energy: -34.439
flat angles C4'-P-C4' energy: -43.352
flat angles P-C4'-P energy: -16.929
tors. eta vs tors. theta energy: -60.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -534.584822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.584822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.584822 (E_RNA)
where:
Base-Base interactions energy: -344.834
where: short stacking energy: -168.492
Base-Backbone interact. energy: -0.824
local terms energy: -188.926297
where:
bonds (distance) C4'-P energy: -32.613
bonds (distance) P-C4' energy: -37.700
flat angles C4'-P-C4' energy: -39.512
flat angles P-C4'-P energy: -30.475
tors. eta vs tors. theta energy: -48.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -554.413218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.413218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.413218 (E_RNA)
where:
Base-Base interactions energy: -375.033
where: short stacking energy: -159.825
Base-Backbone interact. energy: -0.698
local terms energy: -178.681958
where:
bonds (distance) C4'-P energy: -27.429
bonds (distance) P-C4' energy: -41.489
flat angles C4'-P-C4' energy: -35.424
flat angles P-C4'-P energy: -26.908
tors. eta vs tors. theta energy: -47.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -416.807775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.807775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.807775 (E_RNA)
where:
Base-Base interactions energy: -258.547
where: short stacking energy: -111.385
Base-Backbone interact. energy: -0.891
local terms energy: -157.369360
where:
bonds (distance) C4'-P energy: -29.319
bonds (distance) P-C4' energy: -32.177
flat angles C4'-P-C4' energy: -37.432
flat angles P-C4'-P energy: -26.540
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: 8, replica: 5
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -209.693980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.693980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.693980 (E_RNA)
where:
Base-Base interactions energy: -83.940
where: short stacking energy: -63.552
Base-Backbone interact. energy: 0.321
local terms energy: -126.074210
where:
bonds (distance) C4'-P energy: -39.824
bonds (distance) P-C4' energy: -34.764
flat angles C4'-P-C4' energy: -32.259
flat angles P-C4'-P energy: -16.143
tors. eta vs tors. theta energy: -3.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -183.814944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.814944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.814944 (E_RNA)
where:
Base-Base interactions energy: -71.712
where: short stacking energy: -58.088
Base-Backbone interact. energy: -1.227
local terms energy: -110.875772
where:
bonds (distance) C4'-P energy: -25.798
bonds (distance) P-C4' energy: -36.663
flat angles C4'-P-C4' energy: -24.891
flat angles P-C4'-P energy: -17.839
tors. eta vs tors. theta energy: -5.685
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: 3
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -185.189360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.189360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.189360 (E_RNA)
where:
Base-Base interactions energy: -77.064
where: short stacking energy: -69.508
Base-Backbone interact. energy: -0.556
local terms energy: -107.569106
where:
bonds (distance) C4'-P energy: -32.578
bonds (distance) P-C4' energy: -31.080
flat angles C4'-P-C4' energy: -33.143
flat angles P-C4'-P energy: -14.603
tors. eta vs tors. theta energy: 3.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -675.161241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.161241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.161241 (E_RNA)
where:
Base-Base interactions energy: -449.308
where: short stacking energy: -204.038
Base-Backbone interact. energy: 0.338
local terms energy: -226.191161
where:
bonds (distance) C4'-P energy: -38.742
bonds (distance) P-C4' energy: -45.870
flat angles C4'-P-C4' energy: -47.200
flat angles P-C4'-P energy: -29.871
tors. eta vs tors. theta energy: -64.509
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: 2
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -635.659463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.659463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.659463 (E_RNA)
where:
Base-Base interactions energy: -422.991
where: short stacking energy: -175.600
Base-Backbone interact. energy: -0.155
local terms energy: -212.512952
where:
bonds (distance) C4'-P energy: -41.565
bonds (distance) P-C4' energy: -38.751
flat angles C4'-P-C4' energy: -46.401
flat angles P-C4'-P energy: -29.670
tors. eta vs tors. theta energy: -56.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -587.481846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.481846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.481846 (E_RNA)
where:
Base-Base interactions energy: -394.414
where: short stacking energy: -192.463
Base-Backbone interact. energy: -0.023
local terms energy: -193.045106
where:
bonds (distance) C4'-P energy: -37.879
bonds (distance) P-C4' energy: -31.891
flat angles C4'-P-C4' energy: -42.815
flat angles P-C4'-P energy: -26.880
tors. eta vs tors. theta energy: -53.580
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: 4, replica: 7
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -561.099837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.099837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.099837 (E_RNA)
where:
Base-Base interactions energy: -360.560
where: short stacking energy: -183.510
Base-Backbone interact. energy: -0.307
local terms energy: -200.233198
where:
bonds (distance) C4'-P energy: -24.019
bonds (distance) P-C4' energy: -45.605
flat angles C4'-P-C4' energy: -44.370
flat angles P-C4'-P energy: -28.256
tors. eta vs tors. theta energy: -57.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -547.989069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.989069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.989069 (E_RNA)
where:
Base-Base interactions energy: -364.051
where: short stacking energy: -182.330
Base-Backbone interact. energy: -0.129
local terms energy: -183.809536
where:
bonds (distance) C4'-P energy: -32.088
bonds (distance) P-C4' energy: -36.107
flat angles C4'-P-C4' energy: -39.213
flat angles P-C4'-P energy: -25.831
tors. eta vs tors. theta energy: -50.571
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: 1
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -512.985931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.985931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.985931 (E_RNA)
where:
Base-Base interactions energy: -338.869
where: short stacking energy: -146.290
Base-Backbone interact. energy: -0.859
local terms energy: -173.258105
where:
bonds (distance) C4'-P energy: -29.489
bonds (distance) P-C4' energy: -37.135
flat angles C4'-P-C4' energy: -36.500
flat angles P-C4'-P energy: -24.367
tors. eta vs tors. theta energy: -45.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -440.014954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.014954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.014954 (E_RNA)
where:
Base-Base interactions energy: -269.457
where: short stacking energy: -127.156
Base-Backbone interact. energy: -1.760
local terms energy: -168.797766
where:
bonds (distance) C4'-P energy: -40.427
bonds (distance) P-C4' energy: -38.567
flat angles C4'-P-C4' energy: -33.883
flat angles P-C4'-P energy: -26.422
tors. eta vs tors. theta energy: -29.499
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: 10
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -197.645876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.645876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.645876 (E_RNA)
where:
Base-Base interactions energy: -66.040
where: short stacking energy: -64.907
Base-Backbone interact. energy: -0.907
local terms energy: -130.699071
where:
bonds (distance) C4'-P energy: -36.349
bonds (distance) P-C4' energy: -34.529
flat angles C4'-P-C4' energy: -38.627
flat angles P-C4'-P energy: -18.573
tors. eta vs tors. theta energy: -2.622
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: 9, replica: 5
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -174.663684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.663684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.663684 (E_RNA)
where:
Base-Base interactions energy: -56.335
where: short stacking energy: -50.120
Base-Backbone interact. energy: -1.047
local terms energy: -117.281183
where:
bonds (distance) C4'-P energy: -41.598
bonds (distance) P-C4' energy: -25.181
flat angles C4'-P-C4' energy: -30.081
flat angles P-C4'-P energy: -11.608
tors. eta vs tors. theta energy: -8.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -179.164147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.164147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.164147 (E_RNA)
where:
Base-Base interactions energy: -73.150
where: short stacking energy: -54.012
Base-Backbone interact. energy: -0.940
local terms energy: -105.074240
where:
bonds (distance) C4'-P energy: -34.524
bonds (distance) P-C4' energy: -31.873
flat angles C4'-P-C4' energy: -20.721
flat angles P-C4'-P energy: -24.324
tors. eta vs tors. theta energy: 6.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -674.971800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.971800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.971800 (E_RNA)
where:
Base-Base interactions energy: -455.594
where: short stacking energy: -205.068
Base-Backbone interact. energy: -0.980
local terms energy: -218.398329
where:
bonds (distance) C4'-P energy: -37.131
bonds (distance) P-C4' energy: -41.297
flat angles C4'-P-C4' energy: -44.993
flat angles P-C4'-P energy: -29.179
tors. eta vs tors. theta energy: -65.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -645.269612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.269612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.269612 (E_RNA)
where:
Base-Base interactions energy: -432.355
where: short stacking energy: -188.990
Base-Backbone interact. energy: -0.207
local terms energy: -212.707745
where:
bonds (distance) C4'-P energy: -40.283
bonds (distance) P-C4' energy: -35.578
flat angles C4'-P-C4' energy: -45.520
flat angles P-C4'-P energy: -27.588
tors. eta vs tors. theta energy: -63.739
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: 7
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -583.775650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.775650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.775650 (E_RNA)
where:
Base-Base interactions energy: -375.288
where: short stacking energy: -185.683
Base-Backbone interact. energy: -0.606
local terms energy: -207.881390
where:
bonds (distance) C4'-P energy: -39.260
bonds (distance) P-C4' energy: -39.830
flat angles C4'-P-C4' energy: -42.712
flat angles P-C4'-P energy: -27.945
tors. eta vs tors. theta energy: -58.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -562.542538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.542538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.542538 (E_RNA)
where:
Base-Base interactions energy: -370.961
where: short stacking energy: -184.881
Base-Backbone interact. energy: -0.607
local terms energy: -190.974380
where:
bonds (distance) C4'-P energy: -32.726
bonds (distance) P-C4' energy: -32.112
flat angles C4'-P-C4' energy: -42.539
flat angles P-C4'-P energy: -29.268
tors. eta vs tors. theta energy: -54.329
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: 1
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -571.592811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.592811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.592811 (E_RNA)
where:
Base-Base interactions energy: -383.224
where: short stacking energy: -164.034
Base-Backbone interact. energy: 2.117
local terms energy: -190.486170
where:
bonds (distance) C4'-P energy: -36.285
bonds (distance) P-C4' energy: -42.075
flat angles C4'-P-C4' energy: -34.635
flat angles P-C4'-P energy: -28.563
tors. eta vs tors. theta energy: -48.929
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: 9
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -531.695848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.695848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.695848 (E_RNA)
where:
Base-Base interactions energy: -345.247
where: short stacking energy: -152.665
Base-Backbone interact. energy: 0.180
local terms energy: -186.628863
where:
bonds (distance) C4'-P energy: -34.259
bonds (distance) P-C4' energy: -43.372
flat angles C4'-P-C4' energy: -35.442
flat angles P-C4'-P energy: -24.655
tors. eta vs tors. theta energy: -48.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -444.255462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.255462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.255462 (E_RNA)
where:
Base-Base interactions energy: -280.843
where: short stacking energy: -128.911
Base-Backbone interact. energy: -0.216
local terms energy: -163.196473
where:
bonds (distance) C4'-P energy: -32.139
bonds (distance) P-C4' energy: -34.037
flat angles C4'-P-C4' energy: -39.026
flat angles P-C4'-P energy: -17.609
tors. eta vs tors. theta energy: -40.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -191.358484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.358484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.358484 (E_RNA)
where:
Base-Base interactions energy: -69.076
where: short stacking energy: -58.850
Base-Backbone interact. energy: 0.247
local terms energy: -122.529420
where:
bonds (distance) C4'-P energy: -38.223
bonds (distance) P-C4' energy: -35.257
flat angles C4'-P-C4' energy: -26.155
flat angles P-C4'-P energy: -21.984
tors. eta vs tors. theta energy: -0.910
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: 3
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -203.655420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.655420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.655420 (E_RNA)
where:
Base-Base interactions energy: -69.874
where: short stacking energy: -60.980
Base-Backbone interact. energy: -1.367
local terms energy: -132.414604
where:
bonds (distance) C4'-P energy: -36.128
bonds (distance) P-C4' energy: -40.100
flat angles C4'-P-C4' energy: -36.878
flat angles P-C4'-P energy: -20.108
tors. eta vs tors. theta energy: 0.798
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: 5
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -174.934790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.934790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.934790 (E_RNA)
where:
Base-Base interactions energy: -54.252
where: short stacking energy: -46.886
Base-Backbone interact. energy: -1.055
local terms energy: -119.627451
where:
bonds (distance) C4'-P energy: -30.403
bonds (distance) P-C4' energy: -35.436
flat angles C4'-P-C4' energy: -29.334
flat angles P-C4'-P energy: -24.765
tors. eta vs tors. theta energy: 0.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -689.311216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.311216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.311216 (E_RNA)
where:
Base-Base interactions energy: -462.317
where: short stacking energy: -215.347
Base-Backbone interact. energy: 0.889
local terms energy: -227.882439
where:
bonds (distance) C4'-P energy: -40.480
bonds (distance) P-C4' energy: -41.409
flat angles C4'-P-C4' energy: -48.050
flat angles P-C4'-P energy: -33.306
tors. eta vs tors. theta energy: -64.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -631.299820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.299820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.299820 (E_RNA)
where:
Base-Base interactions energy: -434.761
where: short stacking energy: -196.176
Base-Backbone interact. energy: -0.364
local terms energy: -196.174503
where:
bonds (distance) C4'-P energy: -32.748
bonds (distance) P-C4' energy: -36.424
flat angles C4'-P-C4' energy: -48.520
flat angles P-C4'-P energy: -20.218
tors. eta vs tors. theta energy: -58.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -586.919150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.919150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.919150 (E_RNA)
where:
Base-Base interactions energy: -382.769
where: short stacking energy: -193.436
Base-Backbone interact. energy: 1.323
local terms energy: -205.472596
where:
bonds (distance) C4'-P energy: -31.827
bonds (distance) P-C4' energy: -33.040
flat angles C4'-P-C4' energy: -45.522
flat angles P-C4'-P energy: -36.114
tors. eta vs tors. theta energy: -58.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -580.371599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.371599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.371599 (E_RNA)
where:
Base-Base interactions energy: -378.895
where: short stacking energy: -162.477
Base-Backbone interact. energy: -0.358
local terms energy: -201.117990
where:
bonds (distance) C4'-P energy: -40.653
bonds (distance) P-C4' energy: -37.187
flat angles C4'-P-C4' energy: -37.583
flat angles P-C4'-P energy: -35.501
tors. eta vs tors. theta energy: -50.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -563.286079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.286079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.286079 (E_RNA)
where:
Base-Base interactions energy: -370.983
where: short stacking energy: -174.864
Base-Backbone interact. energy: 0.386
local terms energy: -192.688632
where:
bonds (distance) C4'-P energy: -35.723
bonds (distance) P-C4' energy: -36.167
flat angles C4'-P-C4' energy: -43.558
flat angles P-C4'-P energy: -32.144
tors. eta vs tors. theta energy: -45.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -553.169739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.169739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.169739 (E_RNA)
where:
Base-Base interactions energy: -363.208
where: short stacking energy: -174.212
Base-Backbone interact. energy: -0.725
local terms energy: -189.235830
where:
bonds (distance) C4'-P energy: -32.560
bonds (distance) P-C4' energy: -41.839
flat angles C4'-P-C4' energy: -39.375
flat angles P-C4'-P energy: -26.512
tors. eta vs tors. theta energy: -48.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -393.655928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.655928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.655928 (E_RNA)
where:
Base-Base interactions energy: -245.216
where: short stacking energy: -104.426
Base-Backbone interact. energy: -1.146
local terms energy: -147.293766
where:
bonds (distance) C4'-P energy: -37.453
bonds (distance) P-C4' energy: -22.975
flat angles C4'-P-C4' energy: -40.331
flat angles P-C4'-P energy: -24.135
tors. eta vs tors. theta energy: -22.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -193.417502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.417502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.417502 (E_RNA)
where:
Base-Base interactions energy: -77.150
where: short stacking energy: -53.704
Base-Backbone interact. energy: 3.018
local terms energy: -119.285523
where:
bonds (distance) C4'-P energy: -36.017
bonds (distance) P-C4' energy: -23.637
flat angles C4'-P-C4' energy: -30.300
flat angles P-C4'-P energy: -22.575
tors. eta vs tors. theta energy: -6.756
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: 10
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -175.206761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.206761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.206761 (E_RNA)
where:
Base-Base interactions energy: -50.810
where: short stacking energy: -37.837
Base-Backbone interact. energy: -0.537
local terms energy: -123.860439
where:
bonds (distance) C4'-P energy: -36.736
bonds (distance) P-C4' energy: -35.116
flat angles C4'-P-C4' energy: -29.861
flat angles P-C4'-P energy: -23.528
tors. eta vs tors. theta energy: 1.381
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: 10, replica: 5
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -171.774068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.774068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.774068 (E_RNA)
where:
Base-Base interactions energy: -64.143
where: short stacking energy: -46.482
Base-Backbone interact. energy: -0.547
local terms energy: -107.084285
where:
bonds (distance) C4'-P energy: -26.031
bonds (distance) P-C4' energy: -33.152
flat angles C4'-P-C4' energy: -29.294
flat angles P-C4'-P energy: -22.407
tors. eta vs tors. theta energy: 3.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -679.961323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.961323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.961323 (E_RNA)
where:
Base-Base interactions energy: -456.014
where: short stacking energy: -209.425
Base-Backbone interact. energy: -0.608
local terms energy: -223.339435
where:
bonds (distance) C4'-P energy: -42.436
bonds (distance) P-C4' energy: -39.097
flat angles C4'-P-C4' energy: -42.961
flat angles P-C4'-P energy: -32.785
tors. eta vs tors. theta energy: -66.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -611.307598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.307598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.307598 (E_RNA)
where:
Base-Base interactions energy: -414.957
where: short stacking energy: -182.829
Base-Backbone interact. energy: -0.764
local terms energy: -195.587094
where:
bonds (distance) C4'-P energy: -33.177
bonds (distance) P-C4' energy: -34.438
flat angles C4'-P-C4' energy: -45.559
flat angles P-C4'-P energy: -31.320
tors. eta vs tors. theta energy: -51.093
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: 1
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -597.247846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.247846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.247846 (E_RNA)
where:
Base-Base interactions energy: -401.378
where: short stacking energy: -168.976
Base-Backbone interact. energy: -0.675
local terms energy: -195.194417
where:
bonds (distance) C4'-P energy: -41.916
bonds (distance) P-C4' energy: -40.877
flat angles C4'-P-C4' energy: -40.738
flat angles P-C4'-P energy: -18.967
tors. eta vs tors. theta energy: -52.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -582.427164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.427164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.427164 (E_RNA)
where:
Base-Base interactions energy: -381.942
where: short stacking energy: -192.589
Base-Backbone interact. energy: -0.085
local terms energy: -200.399908
where:
bonds (distance) C4'-P energy: -27.226
bonds (distance) P-C4' energy: -43.647
flat angles C4'-P-C4' energy: -42.651
flat angles P-C4'-P energy: -28.525
tors. eta vs tors. theta energy: -58.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -552.892701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.892701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.892701 (E_RNA)
where:
Base-Base interactions energy: -365.643
where: short stacking energy: -168.759
Base-Backbone interact. energy: 0.667
local terms energy: -187.916979
where:
bonds (distance) C4'-P energy: -36.667
bonds (distance) P-C4' energy: -34.635
flat angles C4'-P-C4' energy: -36.318
flat angles P-C4'-P energy: -28.289
tors. eta vs tors. theta energy: -52.008
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: 6, replica: 9
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -544.446028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.446028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.446028 (E_RNA)
where:
Base-Base interactions energy: -363.156
where: short stacking energy: -169.436
Base-Backbone interact. energy: -0.214
local terms energy: -181.076167
where:
bonds (distance) C4'-P energy: -44.261
bonds (distance) P-C4' energy: -21.822
flat angles C4'-P-C4' energy: -43.007
flat angles P-C4'-P energy: -24.246
tors. eta vs tors. theta energy: -47.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -410.923987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.923987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.923987 (E_RNA)
where:
Base-Base interactions energy: -245.423
where: short stacking energy: -124.996
Base-Backbone interact. energy: -0.621
local terms energy: -164.880360
where:
bonds (distance) C4'-P energy: -31.181
bonds (distance) P-C4' energy: -40.161
flat angles C4'-P-C4' energy: -35.878
flat angles P-C4'-P energy: -18.026
tors. eta vs tors. theta energy: -39.634
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: 3
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -223.551631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.551631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.551631 (E_RNA)
where:
Base-Base interactions energy: -84.289
where: short stacking energy: -70.962
Base-Backbone interact. energy: 1.396
local terms energy: -140.658316
where:
bonds (distance) C4'-P energy: -33.497
bonds (distance) P-C4' energy: -37.665
flat angles C4'-P-C4' energy: -31.468
flat angles P-C4'-P energy: -28.082
tors. eta vs tors. theta energy: -9.946
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: 9, replica: 5
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -181.034473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.034473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.034473 (E_RNA)
where:
Base-Base interactions energy: -64.222
where: short stacking energy: -55.454
Base-Backbone interact. energy: -1.724
local terms energy: -115.088365
where:
bonds (distance) C4'-P energy: -28.626
bonds (distance) P-C4' energy: -41.719
flat angles C4'-P-C4' energy: -24.088
flat angles P-C4'-P energy: -19.203
tors. eta vs tors. theta energy: -1.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -164.851495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.851495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.851495 (E_RNA)
where:
Base-Base interactions energy: -59.517
where: short stacking energy: -54.081
Base-Backbone interact. energy: -0.298
local terms energy: -105.035891
where:
bonds (distance) C4'-P energy: -27.895
bonds (distance) P-C4' energy: -33.141
flat angles C4'-P-C4' energy: -24.777
flat angles P-C4'-P energy: -18.381
tors. eta vs tors. theta energy: -0.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -667.226768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.226768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.226768 (E_RNA)
where:
Base-Base interactions energy: -450.053
where: short stacking energy: -194.766
Base-Backbone interact. energy: -0.149
local terms energy: -217.024026
where:
bonds (distance) C4'-P energy: -37.354
bonds (distance) P-C4' energy: -40.460
flat angles C4'-P-C4' energy: -45.110
flat angles P-C4'-P energy: -31.852
tors. eta vs tors. theta energy: -62.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -622.174871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.174871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.174871 (E_RNA)
where:
Base-Base interactions energy: -410.955
where: short stacking energy: -176.126
Base-Backbone interact. energy: -1.528
local terms energy: -209.692158
where:
bonds (distance) C4'-P energy: -34.793
bonds (distance) P-C4' energy: -38.211
flat angles C4'-P-C4' energy: -42.771
flat angles P-C4'-P energy: -33.133
tors. eta vs tors. theta energy: -60.784
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: 3, replica: 1
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -610.047630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.047630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.047630 (E_RNA)
where:
Base-Base interactions energy: -416.306
where: short stacking energy: -163.881
Base-Backbone interact. energy: -1.120
local terms energy: -192.621798
where:
bonds (distance) C4'-P energy: -38.899
bonds (distance) P-C4' energy: -40.205
flat angles C4'-P-C4' energy: -41.004
flat angles P-C4'-P energy: -20.888
tors. eta vs tors. theta energy: -51.626
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: 4, replica: 8
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -599.385035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.385035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.385035 (E_RNA)
where:
Base-Base interactions energy: -388.020
where: short stacking energy: -182.021
Base-Backbone interact. energy: -0.120
local terms energy: -211.245135
where:
bonds (distance) C4'-P energy: -34.933
bonds (distance) P-C4' energy: -45.795
flat angles C4'-P-C4' energy: -47.855
flat angles P-C4'-P energy: -28.629
tors. eta vs tors. theta energy: -54.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -559.836376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.836376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.836376 (E_RNA)
where:
Base-Base interactions energy: -366.420
where: short stacking energy: -176.052
Base-Backbone interact. energy: -0.400
local terms energy: -193.016300
where:
bonds (distance) C4'-P energy: -28.236
bonds (distance) P-C4' energy: -39.512
flat angles C4'-P-C4' energy: -41.046
flat angles P-C4'-P energy: -28.410
tors. eta vs tors. theta energy: -55.813
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: 6, replica: 9
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -528.410710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.410710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.410710 (E_RNA)
where:
Base-Base interactions energy: -328.929
where: short stacking energy: -159.326
Base-Backbone interact. energy: -0.222
local terms energy: -199.260039
where:
bonds (distance) C4'-P energy: -38.540
bonds (distance) P-C4' energy: -43.773
flat angles C4'-P-C4' energy: -37.977
flat angles P-C4'-P energy: -29.862
tors. eta vs tors. theta energy: -49.109
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: 6
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -414.840297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.840297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.840297 (E_RNA)
where:
Base-Base interactions energy: -258.629
where: short stacking energy: -115.143
Base-Backbone interact. energy: -0.809
local terms energy: -155.402012
where:
bonds (distance) C4'-P energy: -31.630
bonds (distance) P-C4' energy: -40.648
flat angles C4'-P-C4' energy: -31.794
flat angles P-C4'-P energy: -27.623
tors. eta vs tors. theta energy: -23.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -191.721751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.721751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.721751 (E_RNA)
where:
Base-Base interactions energy: -72.480
where: short stacking energy: -63.019
Base-Backbone interact. energy: -0.948
local terms energy: -118.293238
where:
bonds (distance) C4'-P energy: -20.493
bonds (distance) P-C4' energy: -42.713
flat angles C4'-P-C4' energy: -32.950
flat angles P-C4'-P energy: -20.111
tors. eta vs tors. theta energy: -2.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -195.459784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.459784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.459784 (E_RNA)
where:
Base-Base interactions energy: -77.727
where: short stacking energy: -55.177
Base-Backbone interact. energy: -0.738
local terms energy: -116.994727
where:
bonds (distance) C4'-P energy: -24.940
bonds (distance) P-C4' energy: -31.735
flat angles C4'-P-C4' energy: -37.568
flat angles P-C4'-P energy: -16.423
tors. eta vs tors. theta energy: -6.330
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: 10
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -161.925006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.925006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.925006 (E_RNA)
where:
Base-Base interactions energy: -37.825
where: short stacking energy: -28.853
Base-Backbone interact. energy: 3.085
local terms energy: -127.184862
where:
bonds (distance) C4'-P energy: -34.680
bonds (distance) P-C4' energy: -44.220
flat angles C4'-P-C4' energy: -34.537
flat angles P-C4'-P energy: -19.215
tors. eta vs tors. theta energy: 5.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -641.687233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.687233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.687233 (E_RNA)
where:
Base-Base interactions energy: -430.126
where: short stacking energy: -182.761
Base-Backbone interact. energy: 0.112
local terms energy: -211.672897
where:
bonds (distance) C4'-P energy: -36.337
bonds (distance) P-C4' energy: -39.727
flat angles C4'-P-C4' energy: -49.155
flat angles P-C4'-P energy: -28.063
tors. eta vs tors. theta energy: -58.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -644.091664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.091664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.091664 (E_RNA)
where:
Base-Base interactions energy: -432.699
where: short stacking energy: -198.625
Base-Backbone interact. energy: -0.834
local terms energy: -210.559227
where:
bonds (distance) C4'-P energy: -36.690
bonds (distance) P-C4' energy: -41.295
flat angles C4'-P-C4' energy: -39.502
flat angles P-C4'-P energy: -27.251
tors. eta vs tors. theta energy: -65.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -618.050458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.050458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.050458 (E_RNA)
where:
Base-Base interactions energy: -422.938
where: short stacking energy: -172.389
Base-Backbone interact. energy: -1.377
local terms energy: -193.735325
where:
bonds (distance) C4'-P energy: -35.635
bonds (distance) P-C4' energy: -35.618
flat angles C4'-P-C4' energy: -37.524
flat angles P-C4'-P energy: -35.085
tors. eta vs tors. theta energy: -49.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -575.758945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.758945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.758945 (E_RNA)
where:
Base-Base interactions energy: -376.786
where: short stacking energy: -168.070
Base-Backbone interact. energy: -0.226
local terms energy: -198.746946
where:
bonds (distance) C4'-P energy: -42.061
bonds (distance) P-C4' energy: -37.145
flat angles C4'-P-C4' energy: -40.321
flat angles P-C4'-P energy: -24.975
tors. eta vs tors. theta energy: -54.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -545.259765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.259765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.259765 (E_RNA)
where:
Base-Base interactions energy: -349.002
where: short stacking energy: -164.167
Base-Backbone interact. energy: -0.922
local terms energy: -195.335994
where:
bonds (distance) C4'-P energy: -34.075
bonds (distance) P-C4' energy: -39.844
flat angles C4'-P-C4' energy: -47.635
flat angles P-C4'-P energy: -27.807
tors. eta vs tors. theta energy: -45.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -552.563093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.563093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.563093 (E_RNA)
where:
Base-Base interactions energy: -352.393
where: short stacking energy: -169.973
Base-Backbone interact. energy: -0.768
local terms energy: -199.401875
where:
bonds (distance) C4'-P energy: -33.015
bonds (distance) P-C4' energy: -35.080
flat angles C4'-P-C4' energy: -49.534
flat angles P-C4'-P energy: -30.750
tors. eta vs tors. theta energy: -51.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -463.239147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.239147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.239147 (E_RNA)
where:
Base-Base interactions energy: -299.117
where: short stacking energy: -130.309
Base-Backbone interact. energy: -0.542
local terms energy: -163.580114
where:
bonds (distance) C4'-P energy: -35.806
bonds (distance) P-C4' energy: -30.191
flat angles C4'-P-C4' energy: -44.394
flat angles P-C4'-P energy: -20.756
tors. eta vs tors. theta energy: -32.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -193.356300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.356300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.356300 (E_RNA)
where:
Base-Base interactions energy: -70.320
where: short stacking energy: -52.150
Base-Backbone interact. energy: -0.201
local terms energy: -122.835232
where:
bonds (distance) C4'-P energy: -32.189
bonds (distance) P-C4' energy: -35.005
flat angles C4'-P-C4' energy: -31.913
flat angles P-C4'-P energy: -16.441
tors. eta vs tors. theta energy: -7.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -177.536694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.536694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.536694 (E_RNA)
where:
Base-Base interactions energy: -51.378
where: short stacking energy: -49.231
Base-Backbone interact. energy: -0.524
local terms energy: -125.635043
where:
bonds (distance) C4'-P energy: -31.775
bonds (distance) P-C4' energy: -38.296
flat angles C4'-P-C4' energy: -35.530
flat angles P-C4'-P energy: -21.482
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: 3
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -182.607195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.607195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.607195 (E_RNA)
where:
Base-Base interactions energy: -56.743
where: short stacking energy: -43.018
Base-Backbone interact. energy: -2.311
local terms energy: -123.553997
where:
bonds (distance) C4'-P energy: -41.416
bonds (distance) P-C4' energy: -46.424
flat angles C4'-P-C4' energy: -24.516
flat angles P-C4'-P energy: -17.612
tors. eta vs tors. theta energy: 6.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -660.158040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.158040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.158040 (E_RNA)
where:
Base-Base interactions energy: -449.529
where: short stacking energy: -204.121
Base-Backbone interact. energy: -0.543
local terms energy: -210.086278
where:
bonds (distance) C4'-P energy: -40.795
bonds (distance) P-C4' energy: -35.599
flat angles C4'-P-C4' energy: -47.689
flat angles P-C4'-P energy: -28.508
tors. eta vs tors. theta energy: -57.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -667.727297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.727297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.727297 (E_RNA)
where:
Base-Base interactions energy: -444.660
where: short stacking energy: -202.372
Base-Backbone interact. energy: -0.350
local terms energy: -222.716927
where:
bonds (distance) C4'-P energy: -43.328
bonds (distance) P-C4' energy: -43.817
flat angles C4'-P-C4' energy: -36.666
flat angles P-C4'-P energy: -34.081
tors. eta vs tors. theta energy: -64.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -603.802028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.802028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.802028 (E_RNA)
where:
Base-Base interactions energy: -425.807
where: short stacking energy: -175.987
Base-Backbone interact. energy: 2.016
local terms energy: -180.010415
where:
bonds (distance) C4'-P energy: -38.054
bonds (distance) P-C4' energy: -31.158
flat angles C4'-P-C4' energy: -42.058
flat angles P-C4'-P energy: -23.010
tors. eta vs tors. theta energy: -45.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -570.963026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.963026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.963026 (E_RNA)
where:
Base-Base interactions energy: -360.392
where: short stacking energy: -177.752
Base-Backbone interact. energy: -0.681
local terms energy: -209.890585
where:
bonds (distance) C4'-P energy: -37.779
bonds (distance) P-C4' energy: -40.520
flat angles C4'-P-C4' energy: -41.458
flat angles P-C4'-P energy: -30.503
tors. eta vs tors. theta energy: -59.631
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: 5, replica: 9
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -571.900889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.900889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.900889 (E_RNA)
where:
Base-Base interactions energy: -370.203
where: short stacking energy: -165.082
Base-Backbone interact. energy: -0.827
local terms energy: -200.871520
where:
bonds (distance) C4'-P energy: -37.731
bonds (distance) P-C4' energy: -39.315
flat angles C4'-P-C4' energy: -35.332
flat angles P-C4'-P energy: -29.425
tors. eta vs tors. theta energy: -59.070
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: 393
Temperature: 1.150000
Total energy: -566.435871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.435871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.435871 (E_RNA)
where:
Base-Base interactions energy: -365.206
where: short stacking energy: -175.971
Base-Backbone interact. energy: -0.105
local terms energy: -201.125333
where:
bonds (distance) C4'-P energy: -44.750
bonds (distance) P-C4' energy: -35.153
flat angles C4'-P-C4' energy: -44.494
flat angles P-C4'-P energy: -22.513
tors. eta vs tors. theta energy: -54.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -430.566153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.566153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.566153 (E_RNA)
where:
Base-Base interactions energy: -262.220
where: short stacking energy: -128.715
Base-Backbone interact. energy: -1.165
local terms energy: -167.181546
where:
bonds (distance) C4'-P energy: -23.767
bonds (distance) P-C4' energy: -43.170
flat angles C4'-P-C4' energy: -40.131
flat angles P-C4'-P energy: -28.526
tors. eta vs tors. theta energy: -31.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -197.511401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.511401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.511401 (E_RNA)
where:
Base-Base interactions energy: -86.220
where: short stacking energy: -73.866
Base-Backbone interact. energy: 2.062
local terms energy: -113.353788
where:
bonds (distance) C4'-P energy: -35.039
bonds (distance) P-C4' energy: -27.658
flat angles C4'-P-C4' energy: -25.013
flat angles P-C4'-P energy: -22.785
tors. eta vs tors. theta energy: -2.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -175.063614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.063614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.063614 (E_RNA)
where:
Base-Base interactions energy: -58.755
where: short stacking energy: -47.116
Base-Backbone interact. energy: -0.308
local terms energy: -116.000461
where:
bonds (distance) C4'-P energy: -31.899
bonds (distance) P-C4' energy: -25.096
flat angles C4'-P-C4' energy: -37.522
flat angles P-C4'-P energy: -27.788
tors. eta vs tors. theta energy: 6.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -175.315856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.315856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.315856 (E_RNA)
where:
Base-Base interactions energy: -69.844
where: short stacking energy: -46.249
Base-Backbone interact. energy: -0.308
local terms energy: -105.163783
where:
bonds (distance) C4'-P energy: -27.800
bonds (distance) P-C4' energy: -35.459
flat angles C4'-P-C4' energy: -16.290
flat angles P-C4'-P energy: -25.572
tors. eta vs tors. theta energy: -0.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -663.967096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.967096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.967096 (E_RNA)
where:
Base-Base interactions energy: -457.232
where: short stacking energy: -199.289
Base-Backbone interact. energy: 0.247
local terms energy: -206.982421
where:
bonds (distance) C4'-P energy: -35.147
bonds (distance) P-C4' energy: -40.531
flat angles C4'-P-C4' energy: -40.810
flat angles P-C4'-P energy: -31.719
tors. eta vs tors. theta energy: -58.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -635.817839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.817839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.817839 (E_RNA)
where:
Base-Base interactions energy: -417.853
where: short stacking energy: -180.648
Base-Backbone interact. energy: -0.945
local terms energy: -217.019031
where:
bonds (distance) C4'-P energy: -43.242
bonds (distance) P-C4' energy: -40.463
flat angles C4'-P-C4' energy: -44.103
flat angles P-C4'-P energy: -30.647
tors. eta vs tors. theta energy: -58.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -632.524575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.524575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.524575 (E_RNA)
where:
Base-Base interactions energy: -427.770
where: short stacking energy: -180.249
Base-Backbone interact. energy: -0.675
local terms energy: -204.079844
where:
bonds (distance) C4'-P energy: -37.763
bonds (distance) P-C4' energy: -43.295
flat angles C4'-P-C4' energy: -44.067
flat angles P-C4'-P energy: -26.823
tors. eta vs tors. theta energy: -52.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -567.217770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.217770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.217770 (E_RNA)
where:
Base-Base interactions energy: -371.480
where: short stacking energy: -186.573
Base-Backbone interact. energy: -0.874
local terms energy: -194.863788
where:
bonds (distance) C4'-P energy: -29.079
bonds (distance) P-C4' energy: -40.333
flat angles C4'-P-C4' energy: -44.200
flat angles P-C4'-P energy: -28.031
tors. eta vs tors. theta energy: -53.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -539.136021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.136021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.136021 (E_RNA)
where:
Base-Base interactions energy: -350.100
where: short stacking energy: -174.625
Base-Backbone interact. energy: -0.106
local terms energy: -188.929275
where:
bonds (distance) C4'-P energy: -29.692
bonds (distance) P-C4' energy: -34.201
flat angles C4'-P-C4' energy: -43.110
flat angles P-C4'-P energy: -32.031
tors. eta vs tors. theta energy: -49.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -520.191390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.191390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.191390 (E_RNA)
where:
Base-Base interactions energy: -333.334
where: short stacking energy: -162.748
Base-Backbone interact. energy: -0.921
local terms energy: -185.935947
where:
bonds (distance) C4'-P energy: -29.747
bonds (distance) P-C4' energy: -37.130
flat angles C4'-P-C4' energy: -38.718
flat angles P-C4'-P energy: -30.254
tors. eta vs tors. theta energy: -50.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -436.480316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.480316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.480316 (E_RNA)
where:
Base-Base interactions energy: -264.161
where: short stacking energy: -118.765
Base-Backbone interact. energy: -0.744
local terms energy: -171.575811
where:
bonds (distance) C4'-P energy: -33.776
bonds (distance) P-C4' energy: -38.519
flat angles C4'-P-C4' energy: -37.795
flat angles P-C4'-P energy: -28.165
tors. eta vs tors. theta energy: -33.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -236.054474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.054474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.054474 (E_RNA)
where:
Base-Base interactions energy: -106.170
where: short stacking energy: -66.432
Base-Backbone interact. energy: -0.641
local terms energy: -129.243253
where:
bonds (distance) C4'-P energy: -36.941
bonds (distance) P-C4' energy: -41.452
flat angles C4'-P-C4' energy: -34.073
flat angles P-C4'-P energy: -15.425
tors. eta vs tors. theta energy: -1.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -185.385460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.385460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.385460 (E_RNA)
where:
Base-Base interactions energy: -57.500
where: short stacking energy: -40.542
Base-Backbone interact. energy: -0.007
local terms energy: -127.878390
where:
bonds (distance) C4'-P energy: -42.352
bonds (distance) P-C4' energy: -34.454
flat angles C4'-P-C4' energy: -36.151
flat angles P-C4'-P energy: -24.083
tors. eta vs tors. theta energy: 9.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -178.735270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.735270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.735270 (E_RNA)
where:
Base-Base interactions energy: -67.297
where: short stacking energy: -52.361
Base-Backbone interact. energy: -0.559
local terms energy: -110.879911
where:
bonds (distance) C4'-P energy: -32.959
bonds (distance) P-C4' energy: -28.279
flat angles C4'-P-C4' energy: -34.485
flat angles P-C4'-P energy: -10.702
tors. eta vs tors. theta energy: -4.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -662.007059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.007059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.007059 (E_RNA)
where:
Base-Base interactions energy: -454.332
where: short stacking energy: -199.190
Base-Backbone interact. energy: 0.628
local terms energy: -208.302761
where:
bonds (distance) C4'-P energy: -35.665
bonds (distance) P-C4' energy: -35.657
flat angles C4'-P-C4' energy: -46.991
flat angles P-C4'-P energy: -29.024
tors. eta vs tors. theta energy: -60.966
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: 1
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -634.812619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.812619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.812619 (E_RNA)
where:
Base-Base interactions energy: -442.581
where: short stacking energy: -183.283
Base-Backbone interact. energy: -1.226
local terms energy: -191.005360
where:
bonds (distance) C4'-P energy: -30.230
bonds (distance) P-C4' energy: -42.720
flat angles C4'-P-C4' energy: -39.659
flat angles P-C4'-P energy: -29.785
tors. eta vs tors. theta energy: -48.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -618.700593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.700593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.700593 (E_RNA)
where:
Base-Base interactions energy: -406.683
where: short stacking energy: -180.535
Base-Backbone interact. energy: -0.532
local terms energy: -211.485645
where:
bonds (distance) C4'-P energy: -42.395
bonds (distance) P-C4' energy: -35.222
flat angles C4'-P-C4' energy: -44.279
flat angles P-C4'-P energy: -32.042
tors. eta vs tors. theta energy: -57.548
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: 8
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -578.053044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.053044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.053044 (E_RNA)
where:
Base-Base interactions energy: -383.725
where: short stacking energy: -182.452
Base-Backbone interact. energy: -0.113
local terms energy: -194.214518
where:
bonds (distance) C4'-P energy: -41.034
bonds (distance) P-C4' energy: -29.514
flat angles C4'-P-C4' energy: -38.904
flat angles P-C4'-P energy: -31.658
tors. eta vs tors. theta energy: -53.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -550.029909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.029909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.029909 (E_RNA)
where:
Base-Base interactions energy: -359.991
where: short stacking energy: -159.125
Base-Backbone interact. energy: -1.552
local terms energy: -188.486325
where:
bonds (distance) C4'-P energy: -38.678
bonds (distance) P-C4' energy: -35.111
flat angles C4'-P-C4' energy: -36.979
flat angles P-C4'-P energy: -27.993
tors. eta vs tors. theta energy: -49.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -536.772676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.772676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.772676 (E_RNA)
where:
Base-Base interactions energy: -338.382
where: short stacking energy: -161.950
Base-Backbone interact. energy: -0.124
local terms energy: -198.266952
where:
bonds (distance) C4'-P energy: -41.203
bonds (distance) P-C4' energy: -43.551
flat angles C4'-P-C4' energy: -40.006
flat angles P-C4'-P energy: -24.239
tors. eta vs tors. theta energy: -49.269
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: 7, replica: 6
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -439.503669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.503669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.503669 (E_RNA)
where:
Base-Base interactions energy: -285.068
where: short stacking energy: -138.341
Base-Backbone interact. energy: 0.612
local terms energy: -155.047647
where:
bonds (distance) C4'-P energy: -32.527
bonds (distance) P-C4' energy: -36.918
flat angles C4'-P-C4' energy: -37.502
flat angles P-C4'-P energy: -20.735
tors. eta vs tors. theta energy: -27.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -243.276191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.276191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.276191 (E_RNA)
where:
Base-Base interactions energy: -121.260
where: short stacking energy: -71.081
Base-Backbone interact. energy: -1.425
local terms energy: -120.590963
where:
bonds (distance) C4'-P energy: -36.799
bonds (distance) P-C4' energy: -33.788
flat angles C4'-P-C4' energy: -29.427
flat angles P-C4'-P energy: -14.066
tors. eta vs tors. theta energy: -6.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -167.565923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.565923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.565923 (E_RNA)
where:
Base-Base interactions energy: -57.359
where: short stacking energy: -43.051
Base-Backbone interact. energy: 2.264
local terms energy: -112.470603
where:
bonds (distance) C4'-P energy: -27.833
bonds (distance) P-C4' energy: -43.937
flat angles C4'-P-C4' energy: -28.428
flat angles P-C4'-P energy: -16.254
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: 10
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -184.788431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.788431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.788431 (E_RNA)
where:
Base-Base interactions energy: -63.770
where: short stacking energy: -50.447
Base-Backbone interact. energy: -0.898
local terms energy: -120.120551
where:
bonds (distance) C4'-P energy: -33.948
bonds (distance) P-C4' energy: -34.875
flat angles C4'-P-C4' energy: -30.712
flat angles P-C4'-P energy: -23.556
tors. eta vs tors. theta energy: 2.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -656.867349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.867349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.867349 (E_RNA)
where:
Base-Base interactions energy: -448.172
where: short stacking energy: -206.224
Base-Backbone interact. energy: -1.658
local terms energy: -207.037431
where:
bonds (distance) C4'-P energy: -36.725
bonds (distance) P-C4' energy: -46.027
flat angles C4'-P-C4' energy: -41.378
flat angles P-C4'-P energy: -24.418
tors. eta vs tors. theta energy: -58.489
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: 1
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -638.430829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.430829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.430829 (E_RNA)
where:
Base-Base interactions energy: -429.967
where: short stacking energy: -181.761
Base-Backbone interact. energy: -0.465
local terms energy: -207.998940
where:
bonds (distance) C4'-P energy: -40.193
bonds (distance) P-C4' energy: -43.609
flat angles C4'-P-C4' energy: -45.403
flat angles P-C4'-P energy: -30.110
tors. eta vs tors. theta energy: -48.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -635.431680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.431680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.431680 (E_RNA)
where:
Base-Base interactions energy: -438.509
where: short stacking energy: -196.451
Base-Backbone interact. energy: -0.572
local terms energy: -196.351325
where:
bonds (distance) C4'-P energy: -28.636
bonds (distance) P-C4' energy: -41.676
flat angles C4'-P-C4' energy: -36.966
flat angles P-C4'-P energy: -28.364
tors. eta vs tors. theta energy: -60.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -576.455436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.455436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.455436 (E_RNA)
where:
Base-Base interactions energy: -371.767
where: short stacking energy: -172.539
Base-Backbone interact. energy: -0.192
local terms energy: -204.496243
where:
bonds (distance) C4'-P energy: -31.390
bonds (distance) P-C4' energy: -43.083
flat angles C4'-P-C4' energy: -43.995
flat angles P-C4'-P energy: -27.713
tors. eta vs tors. theta energy: -58.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -565.201795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.201795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.201795 (E_RNA)
where:
Base-Base interactions energy: -364.609
where: short stacking energy: -180.722
Base-Backbone interact. energy: -0.609
local terms energy: -199.983900
where:
bonds (distance) C4'-P energy: -30.797
bonds (distance) P-C4' energy: -37.033
flat angles C4'-P-C4' energy: -47.180
flat angles P-C4'-P energy: -30.545
tors. eta vs tors. theta energy: -54.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -558.002174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.002174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.002174 (E_RNA)
where:
Base-Base interactions energy: -360.415
where: short stacking energy: -171.325
Base-Backbone interact. energy: 0.641
local terms energy: -198.228368
where:
bonds (distance) C4'-P energy: -39.581
bonds (distance) P-C4' energy: -35.745
flat angles C4'-P-C4' energy: -43.283
flat angles P-C4'-P energy: -24.512
tors. eta vs tors. theta energy: -55.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -407.559165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.559165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.559165 (E_RNA)
where:
Base-Base interactions energy: -258.047
where: short stacking energy: -118.967
Base-Backbone interact. energy: -0.244
local terms energy: -149.268228
where:
bonds (distance) C4'-P energy: -28.585
bonds (distance) P-C4' energy: -36.113
flat angles C4'-P-C4' energy: -31.581
flat angles P-C4'-P energy: -22.860
tors. eta vs tors. theta energy: -30.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -255.116670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.116670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.116670 (E_RNA)
where:
Base-Base interactions energy: -117.238
where: short stacking energy: -70.182
Base-Backbone interact. energy: -1.235
local terms energy: -136.643952
where:
bonds (distance) C4'-P energy: -35.798
bonds (distance) P-C4' energy: -38.441
flat angles C4'-P-C4' energy: -32.736
flat angles P-C4'-P energy: -25.157
tors. eta vs tors. theta energy: -4.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -163.034919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.034919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.034919 (E_RNA)
where:
Base-Base interactions energy: -63.215
where: short stacking energy: -50.430
Base-Backbone interact. energy: -0.768
local terms energy: -99.052544
where:
bonds (distance) C4'-P energy: -22.295
bonds (distance) P-C4' energy: -34.869
flat angles C4'-P-C4' energy: -33.036
flat angles P-C4'-P energy: -20.154
tors. eta vs tors. theta energy: 11.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -175.054045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.054045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.054045 (E_RNA)
where:
Base-Base interactions energy: -53.366
where: short stacking energy: -53.682
Base-Backbone interact. energy: -0.665
local terms energy: -121.023147
where:
bonds (distance) C4'-P energy: -25.135
bonds (distance) P-C4' energy: -38.799
flat angles C4'-P-C4' energy: -31.316
flat angles P-C4'-P energy: -27.107
tors. eta vs tors. theta energy: 1.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -660.909934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.909934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.909934 (E_RNA)
where:
Base-Base interactions energy: -448.749
where: short stacking energy: -200.945
Base-Backbone interact. energy: -0.822
local terms energy: -211.338714
where:
bonds (distance) C4'-P energy: -34.529
bonds (distance) P-C4' energy: -39.466
flat angles C4'-P-C4' energy: -43.263
flat angles P-C4'-P energy: -32.225
tors. eta vs tors. theta energy: -61.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -635.491914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.491914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.491914 (E_RNA)
where:
Base-Base interactions energy: -428.131
where: short stacking energy: -181.558
Base-Backbone interact. energy: -0.107
local terms energy: -207.253864
where:
bonds (distance) C4'-P energy: -34.559
bonds (distance) P-C4' energy: -33.736
flat angles C4'-P-C4' energy: -44.440
flat angles P-C4'-P energy: -35.352
tors. eta vs tors. theta energy: -59.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -625.334891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.334891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.334891 (E_RNA)
where:
Base-Base interactions energy: -424.944
where: short stacking energy: -175.958
Base-Backbone interact. energy: -0.416
local terms energy: -199.975337
where:
bonds (distance) C4'-P energy: -34.695
bonds (distance) P-C4' energy: -38.474
flat angles C4'-P-C4' energy: -46.680
flat angles P-C4'-P energy: -31.384
tors. eta vs tors. theta energy: -48.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -566.393645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.393645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.393645 (E_RNA)
where:
Base-Base interactions energy: -367.871
where: short stacking energy: -184.583
Base-Backbone interact. energy: -0.289
local terms energy: -198.233008
where:
bonds (distance) C4'-P energy: -40.344
bonds (distance) P-C4' energy: -34.988
flat angles C4'-P-C4' energy: -37.901
flat angles P-C4'-P energy: -25.382
tors. eta vs tors. theta energy: -59.619
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: 7
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -555.668337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.668337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.668337 (E_RNA)
where:
Base-Base interactions energy: -367.232
where: short stacking energy: -172.766
Base-Backbone interact. energy: -0.112
local terms energy: -188.325045
where:
bonds (distance) C4'-P energy: -36.325
bonds (distance) P-C4' energy: -34.164
flat angles C4'-P-C4' energy: -44.075
flat angles P-C4'-P energy: -22.400
tors. eta vs tors. theta energy: -51.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -523.179046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.179046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.179046 (E_RNA)
where:
Base-Base interactions energy: -336.802
where: short stacking energy: -159.226
Base-Backbone interact. energy: -1.568
local terms energy: -184.809688
where:
bonds (distance) C4'-P energy: -44.458
bonds (distance) P-C4' energy: -36.890
flat angles C4'-P-C4' energy: -35.164
flat angles P-C4'-P energy: -23.478
tors. eta vs tors. theta energy: -44.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -430.149042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.149042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.149042 (E_RNA)
where:
Base-Base interactions energy: -269.770
where: short stacking energy: -106.992
Base-Backbone interact. energy: -0.738
local terms energy: -159.641090
where:
bonds (distance) C4'-P energy: -36.810
bonds (distance) P-C4' energy: -39.625
flat angles C4'-P-C4' energy: -36.476
flat angles P-C4'-P energy: -18.528
tors. eta vs tors. theta energy: -28.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -244.257627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.257627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.257627 (E_RNA)
where:
Base-Base interactions energy: -123.390
where: short stacking energy: -80.131
Base-Backbone interact. energy: -0.392
local terms energy: -120.475434
where:
bonds (distance) C4'-P energy: -40.066
bonds (distance) P-C4' energy: -26.782
flat angles C4'-P-C4' energy: -28.171
flat angles P-C4'-P energy: -18.126
tors. eta vs tors. theta energy: -7.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -196.969244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.969244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.969244 (E_RNA)
where:
Base-Base interactions energy: -79.510
where: short stacking energy: -59.375
Base-Backbone interact. energy: 0.132
local terms energy: -117.591749
where:
bonds (distance) C4'-P energy: -33.379
bonds (distance) P-C4' energy: -34.617
flat angles C4'-P-C4' energy: -31.839
flat angles P-C4'-P energy: -9.236
tors. eta vs tors. theta energy: -8.520
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: 3
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -170.260913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.260913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.260913 (E_RNA)
where:
Base-Base interactions energy: -46.787
where: short stacking energy: -43.406
Base-Backbone interact. energy: -0.387
local terms energy: -123.086928
where:
bonds (distance) C4'-P energy: -35.463
bonds (distance) P-C4' energy: -44.293
flat angles C4'-P-C4' energy: -33.426
flat angles P-C4'-P energy: -14.197
tors. eta vs tors. theta energy: 4.293
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: 4
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -668.844168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.844168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.844168 (E_RNA)
where:
Base-Base interactions energy: -440.498
where: short stacking energy: -206.368
Base-Backbone interact. energy: -0.419
local terms energy: -227.926495
where:
bonds (distance) C4'-P energy: -44.377
bonds (distance) P-C4' energy: -41.930
flat angles C4'-P-C4' energy: -45.537
flat angles P-C4'-P energy: -31.777
tors. eta vs tors. theta energy: -64.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -636.018009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.018009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.018009 (E_RNA)
where:
Base-Base interactions energy: -419.062
where: short stacking energy: -183.843
Base-Backbone interact. energy: -0.444
local terms energy: -216.512064
where:
bonds (distance) C4'-P energy: -34.808
bonds (distance) P-C4' energy: -41.628
flat angles C4'-P-C4' energy: -43.314
flat angles P-C4'-P energy: -35.353
tors. eta vs tors. theta energy: -61.408
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: 398
Temperature: 1.000000
Total energy: -613.810915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.810915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.810915 (E_RNA)
where:
Base-Base interactions energy: -390.767
where: short stacking energy: -180.326
Base-Backbone interact. energy: -0.028
local terms energy: -223.015997
where:
bonds (distance) C4'-P energy: -35.560
bonds (distance) P-C4' energy: -43.586
flat angles C4'-P-C4' energy: -47.678
flat angles P-C4'-P energy: -34.995
tors. eta vs tors. theta energy: -61.197
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: 1
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -591.409379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.409379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.409379 (E_RNA)
where:
Base-Base interactions energy: -408.309
where: short stacking energy: -162.855
Base-Backbone interact. energy: -0.745
local terms energy: -182.355172
where:
bonds (distance) C4'-P energy: -38.026
bonds (distance) P-C4' energy: -37.540
flat angles C4'-P-C4' energy: -37.611
flat angles P-C4'-P energy: -20.120
tors. eta vs tors. theta energy: -49.058
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: 7
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -566.690259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.690259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.690259 (E_RNA)
where:
Base-Base interactions energy: -371.105
where: short stacking energy: -181.848
Base-Backbone interact. energy: 3.434
local terms energy: -199.018322
where:
bonds (distance) C4'-P energy: -32.704
bonds (distance) P-C4' energy: -37.758
flat angles C4'-P-C4' energy: -40.068
flat angles P-C4'-P energy: -31.119
tors. eta vs tors. theta energy: -57.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -556.327357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.327357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.327357 (E_RNA)
where:
Base-Base interactions energy: -363.921
where: short stacking energy: -167.275
Base-Backbone interact. energy: 0.461
local terms energy: -192.867496
where:
bonds (distance) C4'-P energy: -35.167
bonds (distance) P-C4' energy: -42.668
flat angles C4'-P-C4' energy: -36.342
flat angles P-C4'-P energy: -29.803
tors. eta vs tors. theta energy: -48.887
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: 6
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -469.174748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.174748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.174748 (E_RNA)
where:
Base-Base interactions energy: -306.657
where: short stacking energy: -126.847
Base-Backbone interact. energy: -1.019
local terms energy: -161.498250
where:
bonds (distance) C4'-P energy: -35.608
bonds (distance) P-C4' energy: -32.887
flat angles C4'-P-C4' energy: -33.423
flat angles P-C4'-P energy: -25.986
tors. eta vs tors. theta energy: -33.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -241.113609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.113609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.113609 (E_RNA)
where:
Base-Base interactions energy: -105.446
where: short stacking energy: -64.987
Base-Backbone interact. energy: -0.213
local terms energy: -135.454462
where:
bonds (distance) C4'-P energy: -33.387
bonds (distance) P-C4' energy: -40.618
flat angles C4'-P-C4' energy: -34.093
flat angles P-C4'-P energy: -19.387
tors. eta vs tors. theta energy: -7.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -186.365733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.365733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.365733 (E_RNA)
where:
Base-Base interactions energy: -80.337
where: short stacking energy: -71.547
Base-Backbone interact. energy: -0.520
local terms energy: -105.508360
where:
bonds (distance) C4'-P energy: -23.408
bonds (distance) P-C4' energy: -34.186
flat angles C4'-P-C4' energy: -27.956
flat angles P-C4'-P energy: -18.732
tors. eta vs tors. theta energy: -1.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -186.993678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.993678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.993678 (E_RNA)
where:
Base-Base interactions energy: -70.291
where: short stacking energy: -57.522
Base-Backbone interact. energy: -0.412
local terms energy: -116.291503
where:
bonds (distance) C4'-P energy: -29.909
bonds (distance) P-C4' energy: -23.153
flat angles C4'-P-C4' energy: -42.139
flat angles P-C4'-P energy: -14.262
tors. eta vs tors. theta energy: -6.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -676.261644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.261644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.261644 (E_RNA)
where:
Base-Base interactions energy: -448.396
where: short stacking energy: -207.106
Base-Backbone interact. energy: -0.574
local terms energy: -227.292012
where:
bonds (distance) C4'-P energy: -40.177
bonds (distance) P-C4' energy: -38.746
flat angles C4'-P-C4' energy: -46.720
flat angles P-C4'-P energy: -34.439
tors. eta vs tors. theta energy: -67.211
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: 2
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -642.163135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.163135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.163135 (E_RNA)
where:
Base-Base interactions energy: -424.024
where: short stacking energy: -188.343
Base-Backbone interact. energy: -0.841
local terms energy: -217.297607
where:
bonds (distance) C4'-P energy: -42.493
bonds (distance) P-C4' energy: -38.064
flat angles C4'-P-C4' energy: -40.942
flat angles P-C4'-P energy: -36.127
tors. eta vs tors. theta energy: -59.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -601.106895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.106895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.106895 (E_RNA)
where:
Base-Base interactions energy: -382.674
where: short stacking energy: -184.031
Base-Backbone interact. energy: -0.646
local terms energy: -217.786230
where:
bonds (distance) C4'-P energy: -37.492
bonds (distance) P-C4' energy: -36.994
flat angles C4'-P-C4' energy: -44.744
flat angles P-C4'-P energy: -35.165
tors. eta vs tors. theta energy: -63.392
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: 7
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -571.699822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.699822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.699822 (E_RNA)
where:
Base-Base interactions energy: -370.211
where: short stacking energy: -173.794
Base-Backbone interact. energy: 0.359
local terms energy: -201.848085
where:
bonds (distance) C4'-P energy: -41.222
bonds (distance) P-C4' energy: -36.728
flat angles C4'-P-C4' energy: -40.724
flat angles P-C4'-P energy: -28.329
tors. eta vs tors. theta energy: -54.845
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: 1
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -579.140481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.140481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.140481 (E_RNA)
where:
Base-Base interactions energy: -385.780
where: short stacking energy: -184.696
Base-Backbone interact. energy: -0.286
local terms energy: -193.074191
where:
bonds (distance) C4'-P energy: -35.292
bonds (distance) P-C4' energy: -38.119
flat angles C4'-P-C4' energy: -40.574
flat angles P-C4'-P energy: -27.982
tors. eta vs tors. theta energy: -51.106
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: 9
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -533.780653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.780653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.780653 (E_RNA)
where:
Base-Base interactions energy: -353.600
where: short stacking energy: -166.043
Base-Backbone interact. energy: -2.334
local terms energy: -177.846401
where:
bonds (distance) C4'-P energy: -26.082
bonds (distance) P-C4' energy: -24.255
flat angles C4'-P-C4' energy: -43.351
flat angles P-C4'-P energy: -30.653
tors. eta vs tors. theta energy: -53.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -452.452039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.452039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.452039 (E_RNA)
where:
Base-Base interactions energy: -294.253
where: short stacking energy: -124.905
Base-Backbone interact. energy: -1.001
local terms energy: -157.197729
where:
bonds (distance) C4'-P energy: -32.028
bonds (distance) P-C4' energy: -37.102
flat angles C4'-P-C4' energy: -34.143
flat angles P-C4'-P energy: -19.785
tors. eta vs tors. theta energy: -34.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -179.904777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.904777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.904777 (E_RNA)
where:
Base-Base interactions energy: -58.981
where: short stacking energy: -47.383
Base-Backbone interact. energy: 0.778
local terms energy: -121.701722
where:
bonds (distance) C4'-P energy: -37.562
bonds (distance) P-C4' energy: -32.567
flat angles C4'-P-C4' energy: -35.022
flat angles P-C4'-P energy: -20.029
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: 9, replica: 5
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -190.981268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.981268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.981268 (E_RNA)
where:
Base-Base interactions energy: -57.649
where: short stacking energy: -57.649
Base-Backbone interact. energy: -1.245
local terms energy: -132.087248
where:
bonds (distance) C4'-P energy: -28.433
bonds (distance) P-C4' energy: -43.541
flat angles C4'-P-C4' energy: -36.241
flat angles P-C4'-P energy: -16.053
tors. eta vs tors. theta energy: -7.820
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: 3
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -172.419541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.419541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.419541 (E_RNA)
where:
Base-Base interactions energy: -63.623
where: short stacking energy: -55.380
Base-Backbone interact. energy: -1.123
local terms energy: -107.672932
where:
bonds (distance) C4'-P energy: -30.822
bonds (distance) P-C4' energy: -40.616
flat angles C4'-P-C4' energy: -30.272
flat angles P-C4'-P energy: -9.160
tors. eta vs tors. theta energy: 3.196
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: 4
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -664.260102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.260102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.260102 (E_RNA)
where:
Base-Base interactions energy: -434.758
where: short stacking energy: -201.732
Base-Backbone interact. energy: -1.001
local terms energy: -228.500560
where:
bonds (distance) C4'-P energy: -43.259
bonds (distance) P-C4' energy: -45.640
flat angles C4'-P-C4' energy: -49.319
flat angles P-C4'-P energy: -27.410
tors. eta vs tors. theta energy: -62.872
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: 2, replica: 2
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -644.903456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.903456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.903456 (E_RNA)
where:
Base-Base interactions energy: -424.263
where: short stacking energy: -216.735
Base-Backbone interact. energy: -0.033
local terms energy: -220.608237
where:
bonds (distance) C4'-P energy: -39.515
bonds (distance) P-C4' energy: -38.975
flat angles C4'-P-C4' energy: -43.365
flat angles P-C4'-P energy: -30.822
tors. eta vs tors. theta energy: -67.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -583.028119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.028119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.028119 (E_RNA)
where:
Base-Base interactions energy: -381.322
where: short stacking energy: -182.858
Base-Backbone interact. energy: -0.865
local terms energy: -200.840454
where:
bonds (distance) C4'-P energy: -37.983
bonds (distance) P-C4' energy: -39.313
flat angles C4'-P-C4' energy: -37.023
flat angles P-C4'-P energy: -29.935
tors. eta vs tors. theta energy: -56.587
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: 7
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -575.796632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.796632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.796632 (E_RNA)
where:
Base-Base interactions energy: -373.397
where: short stacking energy: -186.057
Base-Backbone interact. energy: -0.971
local terms energy: -201.429420
where:
bonds (distance) C4'-P energy: -36.513
bonds (distance) P-C4' energy: -39.868
flat angles C4'-P-C4' energy: -42.792
flat angles P-C4'-P energy: -28.143
tors. eta vs tors. theta energy: -54.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -565.282539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.282539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.282539 (E_RNA)
where:
Base-Base interactions energy: -373.627
where: short stacking energy: -167.261
Base-Backbone interact. energy: -0.280
local terms energy: -191.376324
where:
bonds (distance) C4'-P energy: -38.256
bonds (distance) P-C4' energy: -37.706
flat angles C4'-P-C4' energy: -37.615
flat angles P-C4'-P energy: -29.067
tors. eta vs tors. theta energy: -48.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -517.279459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.279459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.279459 (E_RNA)
where:
Base-Base interactions energy: -343.704
where: short stacking energy: -158.075
Base-Backbone interact. energy: 0.190
local terms energy: -173.765053
where:
bonds (distance) C4'-P energy: -31.006
bonds (distance) P-C4' energy: -37.774
flat angles C4'-P-C4' energy: -41.374
flat angles P-C4'-P energy: -21.876
tors. eta vs tors. theta energy: -41.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -478.586351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.586351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.586351 (E_RNA)
where:
Base-Base interactions energy: -298.138
where: short stacking energy: -141.832
Base-Backbone interact. energy: -0.894
local terms energy: -179.554271
where:
bonds (distance) C4'-P energy: -30.655
bonds (distance) P-C4' energy: -36.517
flat angles C4'-P-C4' energy: -39.129
flat angles P-C4'-P energy: -26.126
tors. eta vs tors. theta energy: -47.128
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: 8, replica: 10
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -195.143587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.143587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.143587 (E_RNA)
where:
Base-Base interactions energy: -85.249
where: short stacking energy: -82.296
Base-Backbone interact. energy: 0.336
local terms energy: -110.230129
where:
bonds (distance) C4'-P energy: -33.521
bonds (distance) P-C4' energy: -24.502
flat angles C4'-P-C4' energy: -31.327
flat angles P-C4'-P energy: -14.799
tors. eta vs tors. theta energy: -6.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -207.499588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.499588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.499588 (E_RNA)
where:
Base-Base interactions energy: -85.298
where: short stacking energy: -60.020
Base-Backbone interact. energy: -0.704
local terms energy: -121.498228
where:
bonds (distance) C4'-P energy: -31.023
bonds (distance) P-C4' energy: -32.255
flat angles C4'-P-C4' energy: -31.464
flat angles P-C4'-P energy: -18.593
tors. eta vs tors. theta energy: -8.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -172.170143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.170143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.170143 (E_RNA)
where:
Base-Base interactions energy: -70.064
where: short stacking energy: -48.936
Base-Backbone interact. energy: 0.047
local terms energy: -102.153550
where:
bonds (distance) C4'-P energy: -28.843
bonds (distance) P-C4' energy: -28.785
flat angles C4'-P-C4' energy: -28.309
flat angles P-C4'-P energy: -20.177
tors. eta vs tors. theta energy: 3.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -662.421559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.421559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.421559 (E_RNA)
where:
Base-Base interactions energy: -431.714
where: short stacking energy: -202.254
Base-Backbone interact. energy: -0.458
local terms energy: -230.250285
where:
bonds (distance) C4'-P energy: -38.294
bonds (distance) P-C4' energy: -41.149
flat angles C4'-P-C4' energy: -49.997
flat angles P-C4'-P energy: -35.425
tors. eta vs tors. theta energy: -65.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -636.023736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.023736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.023736 (E_RNA)
where:
Base-Base interactions energy: -429.716
where: short stacking energy: -189.409
Base-Backbone interact. energy: 0.420
local terms energy: -206.727912
where:
bonds (distance) C4'-P energy: -31.349
bonds (distance) P-C4' energy: -46.334
flat angles C4'-P-C4' energy: -42.246
flat angles P-C4'-P energy: -31.747
tors. eta vs tors. theta energy: -55.051
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: 8
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -585.088126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.088126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.088126 (E_RNA)
where:
Base-Base interactions energy: -406.527
where: short stacking energy: -183.696
Base-Backbone interact. energy: -0.315
local terms energy: -178.246818
where:
bonds (distance) C4'-P energy: -32.177
bonds (distance) P-C4' energy: -31.279
flat angles C4'-P-C4' energy: -36.283
flat angles P-C4'-P energy: -26.463
tors. eta vs tors. theta energy: -52.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -557.873994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.873994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.873994 (E_RNA)
where:
Base-Base interactions energy: -375.942
where: short stacking energy: -161.952
Base-Backbone interact. energy: -0.148
local terms energy: -181.783854
where:
bonds (distance) C4'-P energy: -33.640
bonds (distance) P-C4' energy: -40.047
flat angles C4'-P-C4' energy: -40.581
flat angles P-C4'-P energy: -24.854
tors. eta vs tors. theta energy: -42.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -564.949685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.949685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.949685 (E_RNA)
where:
Base-Base interactions energy: -381.491
where: short stacking energy: -177.662
Base-Backbone interact. energy: -0.549
local terms energy: -182.909765
where:
bonds (distance) C4'-P energy: -38.773
bonds (distance) P-C4' energy: -20.306
flat angles C4'-P-C4' energy: -43.238
flat angles P-C4'-P energy: -29.156
tors. eta vs tors. theta energy: -51.436
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: 6
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -506.730581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.730581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.730581 (E_RNA)
where:
Base-Base interactions energy: -337.366
where: short stacking energy: -140.248
Base-Backbone interact. energy: -0.297
local terms energy: -169.067683
where:
bonds (distance) C4'-P energy: -29.844
bonds (distance) P-C4' energy: -41.050
flat angles C4'-P-C4' energy: -35.941
flat angles P-C4'-P energy: -23.274
tors. eta vs tors. theta energy: -38.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -520.165383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.165383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.165383 (E_RNA)
where:
Base-Base interactions energy: -341.406
where: short stacking energy: -156.819
Base-Backbone interact. energy: -0.353
local terms energy: -178.406678
where:
bonds (distance) C4'-P energy: -28.639
bonds (distance) P-C4' energy: -37.227
flat angles C4'-P-C4' energy: -34.327
flat angles P-C4'-P energy: -25.921
tors. eta vs tors. theta energy: -52.292
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: 401
Temperature: 1.250000
Total energy: -210.517668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.517668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.517668 (E_RNA)
where:
Base-Base interactions energy: -87.780
where: short stacking energy: -60.175
Base-Backbone interact. energy: 3.685
local terms energy: -126.422862
where:
bonds (distance) C4'-P energy: -27.842
bonds (distance) P-C4' energy: -40.822
flat angles C4'-P-C4' energy: -33.363
flat angles P-C4'-P energy: -17.208
tors. eta vs tors. theta energy: -7.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -171.952482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.952482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.952482 (E_RNA)
where:
Base-Base interactions energy: -66.353
where: short stacking energy: -48.782
Base-Backbone interact. energy: -0.586
local terms energy: -105.013629
where:
bonds (distance) C4'-P energy: -31.945
bonds (distance) P-C4' energy: -33.973
flat angles C4'-P-C4' energy: -22.031
flat angles P-C4'-P energy: -17.769
tors. eta vs tors. theta energy: 0.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -169.086838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.086838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.086838 (E_RNA)
where:
Base-Base interactions energy: -55.918
where: short stacking energy: -49.294
Base-Backbone interact. energy: -0.394
local terms energy: -112.774859
where:
bonds (distance) C4'-P energy: -33.099
bonds (distance) P-C4' energy: -35.733
flat angles C4'-P-C4' energy: -32.647
flat angles P-C4'-P energy: -18.624
tors. eta vs tors. theta energy: 7.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -670.316445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.316445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.316445 (E_RNA)
where:
Base-Base interactions energy: -440.547
where: short stacking energy: -207.263
Base-Backbone interact. energy: -3.491
local terms energy: -226.277793
where:
bonds (distance) C4'-P energy: -42.247
bonds (distance) P-C4' energy: -41.632
flat angles C4'-P-C4' energy: -43.664
flat angles P-C4'-P energy: -32.068
tors. eta vs tors. theta energy: -66.667
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: 2
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -631.708229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.708229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.708229 (E_RNA)
where:
Base-Base interactions energy: -424.729
where: short stacking energy: -184.060
Base-Backbone interact. energy: -0.322
local terms energy: -206.656776
where:
bonds (distance) C4'-P energy: -41.285
bonds (distance) P-C4' energy: -40.606
flat angles C4'-P-C4' energy: -38.991
flat angles P-C4'-P energy: -28.085
tors. eta vs tors. theta energy: -57.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -594.202263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.202263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.202263 (E_RNA)
where:
Base-Base interactions energy: -382.573
where: short stacking energy: -182.771
Base-Backbone interact. energy: 0.251
local terms energy: -211.880514
where:
bonds (distance) C4'-P energy: -36.783
bonds (distance) P-C4' energy: -38.590
flat angles C4'-P-C4' energy: -42.610
flat angles P-C4'-P energy: -34.051
tors. eta vs tors. theta energy: -59.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -581.226427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.226427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.226427 (E_RNA)
where:
Base-Base interactions energy: -385.170
where: short stacking energy: -176.691
Base-Backbone interact. energy: -0.389
local terms energy: -195.667758
where:
bonds (distance) C4'-P energy: -40.549
bonds (distance) P-C4' energy: -39.378
flat angles C4'-P-C4' energy: -38.247
flat angles P-C4'-P energy: -26.656
tors. eta vs tors. theta energy: -50.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -562.822820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.822820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.822820 (E_RNA)
where:
Base-Base interactions energy: -364.762
where: short stacking energy: -179.889
Base-Backbone interact. energy: -0.042
local terms energy: -198.018447
where:
bonds (distance) C4'-P energy: -41.879
bonds (distance) P-C4' energy: -37.064
flat angles C4'-P-C4' energy: -39.525
flat angles P-C4'-P energy: -27.601
tors. eta vs tors. theta energy: -51.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -500.825775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.825775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.825775 (E_RNA)
where:
Base-Base interactions energy: -334.416
where: short stacking energy: -154.797
Base-Backbone interact. energy: -1.994
local terms energy: -164.415991
where:
bonds (distance) C4'-P energy: -25.326
bonds (distance) P-C4' energy: -35.499
flat angles C4'-P-C4' energy: -37.174
flat angles P-C4'-P energy: -23.819
tors. eta vs tors. theta energy: -42.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -502.242478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.242478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.242478 (E_RNA)
where:
Base-Base interactions energy: -316.401
where: short stacking energy: -142.886
Base-Backbone interact. energy: -0.604
local terms energy: -185.237505
where:
bonds (distance) C4'-P energy: -35.015
bonds (distance) P-C4' energy: -35.526
flat angles C4'-P-C4' energy: -43.949
flat angles P-C4'-P energy: -25.036
tors. eta vs tors. theta energy: -45.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -210.138684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.138684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.138684 (E_RNA)
where:
Base-Base interactions energy: -92.591
where: short stacking energy: -73.816
Base-Backbone interact. energy: -0.460
local terms energy: -117.088112
where:
bonds (distance) C4'-P energy: -38.223
bonds (distance) P-C4' energy: -19.490
flat angles C4'-P-C4' energy: -29.565
flat angles P-C4'-P energy: -22.308
tors. eta vs tors. theta energy: -7.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -184.808137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.808137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.808137 (E_RNA)
where:
Base-Base interactions energy: -64.573
where: short stacking energy: -43.583
Base-Backbone interact. energy: 0.235
local terms energy: -120.470833
where:
bonds (distance) C4'-P energy: -31.552
bonds (distance) P-C4' energy: -36.401
flat angles C4'-P-C4' energy: -35.831
flat angles P-C4'-P energy: -19.004
tors. eta vs tors. theta energy: 2.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -164.202502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.202502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.202502 (E_RNA)
where:
Base-Base interactions energy: -65.823
where: short stacking energy: -54.988
Base-Backbone interact. energy: -2.241
local terms energy: -96.138943
where:
bonds (distance) C4'-P energy: -21.170
bonds (distance) P-C4' energy: -36.454
flat angles C4'-P-C4' energy: -30.081
flat angles P-C4'-P energy: -14.108
tors. eta vs tors. theta energy: 5.674
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: 4
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -652.092520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.092520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.092520 (E_RNA)
where:
Base-Base interactions energy: -422.675
where: short stacking energy: -202.909
Base-Backbone interact. energy: -0.089
local terms energy: -229.328052
where:
bonds (distance) C4'-P energy: -45.216
bonds (distance) P-C4' energy: -39.642
flat angles C4'-P-C4' energy: -43.302
flat angles P-C4'-P energy: -36.202
tors. eta vs tors. theta energy: -64.966
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: 403
Temperature: 0.950000
Total energy: -620.074475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.074475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.074475 (E_RNA)
where:
Base-Base interactions energy: -421.421
where: short stacking energy: -180.008
Base-Backbone interact. energy: -0.471
local terms energy: -198.183015
where:
bonds (distance) C4'-P energy: -43.203
bonds (distance) P-C4' energy: -34.235
flat angles C4'-P-C4' energy: -42.520
flat angles P-C4'-P energy: -27.818
tors. eta vs tors. theta energy: -50.408
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: 403
Temperature: 1.000000
Total energy: -595.796066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.796066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.796066 (E_RNA)
where:
Base-Base interactions energy: -394.938
where: short stacking energy: -189.943
Base-Backbone interact. energy: -0.587
local terms energy: -200.271448
where:
bonds (distance) C4'-P energy: -36.764
bonds (distance) P-C4' energy: -37.035
flat angles C4'-P-C4' energy: -45.267
flat angles P-C4'-P energy: -28.585
tors. eta vs tors. theta energy: -52.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -568.119025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.119025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.119025 (E_RNA)
where:
Base-Base interactions energy: -373.941
where: short stacking energy: -157.586
Base-Backbone interact. energy: -0.835
local terms energy: -193.343057
where:
bonds (distance) C4'-P energy: -33.928
bonds (distance) P-C4' energy: -45.204
flat angles C4'-P-C4' energy: -39.304
flat angles P-C4'-P energy: -27.875
tors. eta vs tors. theta energy: -47.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -569.219839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.219839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.219839 (E_RNA)
where:
Base-Base interactions energy: -368.842
where: short stacking energy: -179.501
Base-Backbone interact. energy: 1.039
local terms energy: -201.416825
where:
bonds (distance) C4'-P energy: -42.190
bonds (distance) P-C4' energy: -28.130
flat angles C4'-P-C4' energy: -43.821
flat angles P-C4'-P energy: -28.301
tors. eta vs tors. theta energy: -58.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -498.572366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.572366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.572366 (E_RNA)
where:
Base-Base interactions energy: -325.417
where: short stacking energy: -153.436
Base-Backbone interact. energy: -0.382
local terms energy: -172.772958
where:
bonds (distance) C4'-P energy: -33.902
bonds (distance) P-C4' energy: -33.297
flat angles C4'-P-C4' energy: -36.394
flat angles P-C4'-P energy: -26.381
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: 7, replica: 6
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -492.126917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.126917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.126917 (E_RNA)
where:
Base-Base interactions energy: -334.621
where: short stacking energy: -139.282
Base-Backbone interact. energy: -1.017
local terms energy: -156.488236
where:
bonds (distance) C4'-P energy: -27.917
bonds (distance) P-C4' energy: -29.331
flat angles C4'-P-C4' energy: -36.098
flat angles P-C4'-P energy: -23.738
tors. eta vs tors. theta energy: -39.404
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: 10
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -195.367084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.367084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.367084 (E_RNA)
where:
Base-Base interactions energy: -64.170
where: short stacking energy: -54.213
Base-Backbone interact. energy: -0.042
local terms energy: -131.155543
where:
bonds (distance) C4'-P energy: -39.718
bonds (distance) P-C4' energy: -38.997
flat angles C4'-P-C4' energy: -31.344
flat angles P-C4'-P energy: -22.062
tors. eta vs tors. theta energy: 0.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -189.992162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.992162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.992162 (E_RNA)
where:
Base-Base interactions energy: -75.327
where: short stacking energy: -54.727
Base-Backbone interact. energy: -0.296
local terms energy: -114.369203
where:
bonds (distance) C4'-P energy: -25.278
bonds (distance) P-C4' energy: -36.786
flat angles C4'-P-C4' energy: -25.391
flat angles P-C4'-P energy: -21.662
tors. eta vs tors. theta energy: -5.251
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: 3
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -200.523669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.523669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.523669 (E_RNA)
where:
Base-Base interactions energy: -84.721
where: short stacking energy: -55.042
Base-Backbone interact. energy: -2.187
local terms energy: -113.615647
where:
bonds (distance) C4'-P energy: -39.288
bonds (distance) P-C4' energy: -33.723
flat angles C4'-P-C4' energy: -27.219
flat angles P-C4'-P energy: -25.308
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: 1, replica: 4
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -660.937769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.937769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.937769 (E_RNA)
where:
Base-Base interactions energy: -438.554
where: short stacking energy: -196.510
Base-Backbone interact. energy: -1.320
local terms energy: -221.063460
where:
bonds (distance) C4'-P energy: -42.024
bonds (distance) P-C4' energy: -39.098
flat angles C4'-P-C4' energy: -43.505
flat angles P-C4'-P energy: -33.736
tors. eta vs tors. theta energy: -62.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -645.257479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.257479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.257479 (E_RNA)
where:
Base-Base interactions energy: -430.172
where: short stacking energy: -183.781
Base-Backbone interact. energy: -1.653
local terms energy: -213.432705
where:
bonds (distance) C4'-P energy: -38.100
bonds (distance) P-C4' energy: -38.474
flat angles C4'-P-C4' energy: -41.854
flat angles P-C4'-P energy: -33.680
tors. eta vs tors. theta energy: -61.324
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: 8
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -609.352436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.352436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.352436 (E_RNA)
where:
Base-Base interactions energy: -391.358
where: short stacking energy: -200.430
Base-Backbone interact. energy: -0.181
local terms energy: -217.813051
where:
bonds (distance) C4'-P energy: -39.123
bonds (distance) P-C4' energy: -40.806
flat angles C4'-P-C4' energy: -47.405
flat angles P-C4'-P energy: -27.718
tors. eta vs tors. theta energy: -62.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -539.064186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.064186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.064186 (E_RNA)
where:
Base-Base interactions energy: -348.359
where: short stacking energy: -151.626
Base-Backbone interact. energy: -0.470
local terms energy: -190.235450
where:
bonds (distance) C4'-P energy: -41.718
bonds (distance) P-C4' energy: -38.258
flat angles C4'-P-C4' energy: -45.223
flat angles P-C4'-P energy: -22.442
tors. eta vs tors. theta energy: -42.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -550.690803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.690803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.690803 (E_RNA)
where:
Base-Base interactions energy: -340.405
where: short stacking energy: -155.073
Base-Backbone interact. energy: -0.633
local terms energy: -209.652866
where:
bonds (distance) C4'-P energy: -41.386
bonds (distance) P-C4' energy: -39.330
flat angles C4'-P-C4' energy: -45.207
flat angles P-C4'-P energy: -29.607
tors. eta vs tors. theta energy: -54.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -503.573001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.573001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.573001 (E_RNA)
where:
Base-Base interactions energy: -325.285
where: short stacking energy: -164.742
Base-Backbone interact. energy: -0.182
local terms energy: -178.105944
where:
bonds (distance) C4'-P energy: -36.901
bonds (distance) P-C4' energy: -35.829
flat angles C4'-P-C4' energy: -34.349
flat angles P-C4'-P energy: -25.156
tors. eta vs tors. theta energy: -45.872
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: 404
Temperature: 1.200000
Total energy: -475.482102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.482102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.482102 (E_RNA)
where:
Base-Base interactions energy: -306.411
where: short stacking energy: -141.794
Base-Backbone interact. energy: -0.969
local terms energy: -168.102499
where:
bonds (distance) C4'-P energy: -38.344
bonds (distance) P-C4' energy: -29.867
flat angles C4'-P-C4' energy: -41.594
flat angles P-C4'-P energy: -19.788
tors. eta vs tors. theta energy: -38.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -193.087766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.087766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.087766 (E_RNA)
where:
Base-Base interactions energy: -74.648
where: short stacking energy: -55.950
Base-Backbone interact. energy: -0.468
local terms energy: -117.972249
where:
bonds (distance) C4'-P energy: -33.791
bonds (distance) P-C4' energy: -40.545
flat angles C4'-P-C4' energy: -21.051
flat angles P-C4'-P energy: -20.242
tors. eta vs tors. theta energy: -2.343
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: 3
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -186.404921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.404921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.404921 (E_RNA)
where:
Base-Base interactions energy: -61.300
where: short stacking energy: -44.922
Base-Backbone interact. energy: -1.068
local terms energy: -124.036564
where:
bonds (distance) C4'-P energy: -33.278
bonds (distance) P-C4' energy: -36.442
flat angles C4'-P-C4' energy: -34.529
flat angles P-C4'-P energy: -26.127
tors. eta vs tors. theta energy: 6.339
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: 404
Temperature: 1.350000
Total energy: -162.270864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.270864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.270864 (E_RNA)
where:
Base-Base interactions energy: -52.955
where: short stacking energy: -52.830
Base-Backbone interact. energy: -0.957
local terms energy: -108.358348
where:
bonds (distance) C4'-P energy: -28.480
bonds (distance) P-C4' energy: -25.629
flat angles C4'-P-C4' energy: -30.617
flat angles P-C4'-P energy: -23.169
tors. eta vs tors. theta energy: -0.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -669.690061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.690061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.690061 (E_RNA)
where:
Base-Base interactions energy: -460.469
where: short stacking energy: -208.347
Base-Backbone interact. energy: -0.294
local terms energy: -208.926694
where:
bonds (distance) C4'-P energy: -35.393
bonds (distance) P-C4' energy: -33.521
flat angles C4'-P-C4' energy: -42.278
flat angles P-C4'-P energy: -33.366
tors. eta vs tors. theta energy: -64.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -663.950645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.950645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.950645 (E_RNA)
where:
Base-Base interactions energy: -447.955
where: short stacking energy: -198.526
Base-Backbone interact. energy: -0.125
local terms energy: -215.871137
where:
bonds (distance) C4'-P energy: -39.263
bonds (distance) P-C4' energy: -35.148
flat angles C4'-P-C4' energy: -46.279
flat angles P-C4'-P energy: -31.713
tors. eta vs tors. theta energy: -63.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -604.592775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.592775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.592775 (E_RNA)
where:
Base-Base interactions energy: -392.041
where: short stacking energy: -186.545
Base-Backbone interact. energy: -0.216
local terms energy: -212.336022
where:
bonds (distance) C4'-P energy: -43.690
bonds (distance) P-C4' energy: -35.084
flat angles C4'-P-C4' energy: -48.318
flat angles P-C4'-P energy: -28.338
tors. eta vs tors. theta energy: -56.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -577.584814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.584814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.584814 (E_RNA)
where:
Base-Base interactions energy: -371.789
where: short stacking energy: -192.701
Base-Backbone interact. energy: -0.675
local terms energy: -205.120301
where:
bonds (distance) C4'-P energy: -41.013
bonds (distance) P-C4' energy: -38.183
flat angles C4'-P-C4' energy: -43.379
flat angles P-C4'-P energy: -22.957
tors. eta vs tors. theta energy: -59.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -550.687891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.687891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.687891 (E_RNA)
where:
Base-Base interactions energy: -373.983
where: short stacking energy: -158.128
Base-Backbone interact. energy: -0.116
local terms energy: -176.589310
where:
bonds (distance) C4'-P energy: -33.742
bonds (distance) P-C4' energy: -33.406
flat angles C4'-P-C4' energy: -34.588
flat angles P-C4'-P energy: -34.019
tors. eta vs tors. theta energy: -40.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -503.561958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.561958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.561958 (E_RNA)
where:
Base-Base interactions energy: -318.190
where: short stacking energy: -155.794
Base-Backbone interact. energy: 1.129
local terms energy: -186.500837
where:
bonds (distance) C4'-P energy: -42.256
bonds (distance) P-C4' energy: -40.784
flat angles C4'-P-C4' energy: -38.341
flat angles P-C4'-P energy: -23.280
tors. eta vs tors. theta energy: -41.839
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: 6
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -449.556867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.556867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.556867 (E_RNA)
where:
Base-Base interactions energy: -285.319
where: short stacking energy: -137.776
Base-Backbone interact. energy: 0.320
local terms energy: -164.558468
where:
bonds (distance) C4'-P energy: -29.704
bonds (distance) P-C4' energy: -33.911
flat angles C4'-P-C4' energy: -41.850
flat angles P-C4'-P energy: -24.409
tors. eta vs tors. theta energy: -34.685
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: 10
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -193.441144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.441144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.441144 (E_RNA)
where:
Base-Base interactions energy: -93.910
where: short stacking energy: -47.860
Base-Backbone interact. energy: 2.317
local terms energy: -101.847566
where:
bonds (distance) C4'-P energy: -31.418
bonds (distance) P-C4' energy: -36.072
flat angles C4'-P-C4' energy: -30.476
flat angles P-C4'-P energy: -16.196
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: 3
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -190.394687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.394687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.394687 (E_RNA)
where:
Base-Base interactions energy: -56.704
where: short stacking energy: -48.648
Base-Backbone interact. energy: -0.767
local terms energy: -132.923880
where:
bonds (distance) C4'-P energy: -36.108
bonds (distance) P-C4' energy: -43.807
flat angles C4'-P-C4' energy: -29.884
flat angles P-C4'-P energy: -18.386
tors. eta vs tors. theta energy: -4.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -151.736105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.736105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.736105 (E_RNA)
where:
Base-Base interactions energy: -47.340
where: short stacking energy: -46.899
Base-Backbone interact. energy: -0.718
local terms energy: -103.677556
where:
bonds (distance) C4'-P energy: -36.837
bonds (distance) P-C4' energy: -37.836
flat angles C4'-P-C4' energy: -26.780
flat angles P-C4'-P energy: -13.660
tors. eta vs tors. theta energy: 11.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -668.451894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.451894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.451894 (E_RNA)
where:
Base-Base interactions energy: -436.684
where: short stacking energy: -197.063
Base-Backbone interact. energy: -0.081
local terms energy: -231.687093
where:
bonds (distance) C4'-P energy: -44.462
bonds (distance) P-C4' energy: -39.796
flat angles C4'-P-C4' energy: -46.814
flat angles P-C4'-P energy: -34.521
tors. eta vs tors. theta energy: -66.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -642.413962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.413962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.413962 (E_RNA)
where:
Base-Base interactions energy: -439.902
where: short stacking energy: -191.423
Base-Backbone interact. energy: -0.737
local terms energy: -201.774750
where:
bonds (distance) C4'-P energy: -31.721
bonds (distance) P-C4' energy: -38.226
flat angles C4'-P-C4' energy: -38.217
flat angles P-C4'-P energy: -33.102
tors. eta vs tors. theta energy: -60.508
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: 7
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -576.396805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.396805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.396805 (E_RNA)
where:
Base-Base interactions energy: -359.027
where: short stacking energy: -185.104
Base-Backbone interact. energy: -0.791
local terms energy: -216.578956
where:
bonds (distance) C4'-P energy: -41.317
bonds (distance) P-C4' energy: -37.491
flat angles C4'-P-C4' energy: -39.627
flat angles P-C4'-P energy: -34.784
tors. eta vs tors. theta energy: -63.360
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: 8
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -584.432165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.432165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.432165 (E_RNA)
where:
Base-Base interactions energy: -377.818
where: short stacking energy: -180.365
Base-Backbone interact. energy: -0.618
local terms energy: -205.996488
where:
bonds (distance) C4'-P energy: -36.321
bonds (distance) P-C4' energy: -45.197
flat angles C4'-P-C4' energy: -38.994
flat angles P-C4'-P energy: -29.985
tors. eta vs tors. theta energy: -55.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -520.990795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.990795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.990795 (E_RNA)
where:
Base-Base interactions energy: -341.711
where: short stacking energy: -159.837
Base-Backbone interact. energy: -0.731
local terms energy: -178.548544
where:
bonds (distance) C4'-P energy: -34.313
bonds (distance) P-C4' energy: -30.922
flat angles C4'-P-C4' energy: -32.031
flat angles P-C4'-P energy: -32.099
tors. eta vs tors. theta energy: -49.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -523.353303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.353303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.353303 (E_RNA)
where:
Base-Base interactions energy: -346.024
where: short stacking energy: -143.006
Base-Backbone interact. energy: -0.920
local terms energy: -176.409645
where:
bonds (distance) C4'-P energy: -37.746
bonds (distance) P-C4' energy: -34.445
flat angles C4'-P-C4' energy: -43.315
flat angles P-C4'-P energy: -24.887
tors. eta vs tors. theta energy: -36.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -459.561836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.561836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.561836 (E_RNA)
where:
Base-Base interactions energy: -282.533
where: short stacking energy: -141.493
Base-Backbone interact. energy: -0.196
local terms energy: -176.832701
where:
bonds (distance) C4'-P energy: -43.640
bonds (distance) P-C4' energy: -34.333
flat angles C4'-P-C4' energy: -39.286
flat angles P-C4'-P energy: -26.402
tors. eta vs tors. theta energy: -33.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -200.813438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.813438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.813438 (E_RNA)
where:
Base-Base interactions energy: -80.344
where: short stacking energy: -47.957
Base-Backbone interact. energy: -0.321
local terms energy: -120.148367
where:
bonds (distance) C4'-P energy: -33.179
bonds (distance) P-C4' energy: -40.732
flat angles C4'-P-C4' energy: -35.597
flat angles P-C4'-P energy: -13.102
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: 3
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -186.643496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.643496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.643496 (E_RNA)
where:
Base-Base interactions energy: -65.811
where: short stacking energy: -56.654
Base-Backbone interact. energy: -1.404
local terms energy: -119.427966
where:
bonds (distance) C4'-P energy: -34.766
bonds (distance) P-C4' energy: -24.519
flat angles C4'-P-C4' energy: -30.950
flat angles P-C4'-P energy: -17.019
tors. eta vs tors. theta energy: -12.174
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: 5
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -166.646737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.646737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.646737 (E_RNA)
where:
Base-Base interactions energy: -53.552
where: short stacking energy: -49.572
Base-Backbone interact. energy: -0.630
local terms energy: -112.464637
where:
bonds (distance) C4'-P energy: -33.807
bonds (distance) P-C4' energy: -36.918
flat angles C4'-P-C4' energy: -23.983
flat angles P-C4'-P energy: -21.025
tors. eta vs tors. theta energy: 3.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -669.128175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.128175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.128175 (E_RNA)
where:
Base-Base interactions energy: -447.201
where: short stacking energy: -204.189
Base-Backbone interact. energy: 0.632
local terms energy: -222.559377
where:
bonds (distance) C4'-P energy: -38.155
bonds (distance) P-C4' energy: -43.727
flat angles C4'-P-C4' energy: -46.766
flat angles P-C4'-P energy: -27.908
tors. eta vs tors. theta energy: -66.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -654.257571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.257571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.257571 (E_RNA)
where:
Base-Base interactions energy: -442.967
where: short stacking energy: -187.172
Base-Backbone interact. energy: -0.194
local terms energy: -211.096490
where:
bonds (distance) C4'-P energy: -35.893
bonds (distance) P-C4' energy: -43.565
flat angles C4'-P-C4' energy: -43.095
flat angles P-C4'-P energy: -28.230
tors. eta vs tors. theta energy: -60.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -574.326774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.326774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.326774 (E_RNA)
where:
Base-Base interactions energy: -379.251
where: short stacking energy: -166.773
Base-Backbone interact. energy: -0.245
local terms energy: -194.830645
where:
bonds (distance) C4'-P energy: -41.439
bonds (distance) P-C4' energy: -44.200
flat angles C4'-P-C4' energy: -41.188
flat angles P-C4'-P energy: -22.495
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: 4, replica: 9
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -539.851264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.851264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.851264 (E_RNA)
where:
Base-Base interactions energy: -339.393
where: short stacking energy: -161.406
Base-Backbone interact. energy: -1.975
local terms energy: -198.483446
where:
bonds (distance) C4'-P energy: -38.643
bonds (distance) P-C4' energy: -35.417
flat angles C4'-P-C4' energy: -43.444
flat angles P-C4'-P energy: -31.099
tors. eta vs tors. theta energy: -49.880
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: 407
Temperature: 1.100000
Total energy: -574.975197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.975197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.975197 (E_RNA)
where:
Base-Base interactions energy: -387.900
where: short stacking energy: -179.206
Base-Backbone interact. energy: -0.416
local terms energy: -186.658643
where:
bonds (distance) C4'-P energy: -35.547
bonds (distance) P-C4' energy: -30.477
flat angles C4'-P-C4' energy: -42.181
flat angles P-C4'-P energy: -27.122
tors. eta vs tors. theta energy: -51.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -524.448384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.448384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.448384 (E_RNA)
where:
Base-Base interactions energy: -327.906
where: short stacking energy: -145.777
Base-Backbone interact. energy: -0.102
local terms energy: -196.439507
where:
bonds (distance) C4'-P energy: -33.217
bonds (distance) P-C4' energy: -42.388
flat angles C4'-P-C4' energy: -44.130
flat angles P-C4'-P energy: -31.216
tors. eta vs tors. theta energy: -45.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -472.101272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.101272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.101272 (E_RNA)
where:
Base-Base interactions energy: -296.598
where: short stacking energy: -138.328
Base-Backbone interact. energy: -0.140
local terms energy: -175.363311
where:
bonds (distance) C4'-P energy: -36.872
bonds (distance) P-C4' energy: -32.150
flat angles C4'-P-C4' energy: -38.862
flat angles P-C4'-P energy: -24.802
tors. eta vs tors. theta energy: -42.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -199.501776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.501776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.501776 (E_RNA)
where:
Base-Base interactions energy: -79.325
where: short stacking energy: -67.523
Base-Backbone interact. energy: -0.687
local terms energy: -119.490478
where:
bonds (distance) C4'-P energy: -35.160
bonds (distance) P-C4' energy: -37.656
flat angles C4'-P-C4' energy: -26.747
flat angles P-C4'-P energy: -17.475
tors. eta vs tors. theta energy: -2.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -217.477629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.477629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.477629 (E_RNA)
where:
Base-Base interactions energy: -93.395
where: short stacking energy: -64.205
Base-Backbone interact. energy: 0.472
local terms energy: -124.553747
where:
bonds (distance) C4'-P energy: -33.812
bonds (distance) P-C4' energy: -37.605
flat angles C4'-P-C4' energy: -32.437
flat angles P-C4'-P energy: -19.250
tors. eta vs tors. theta energy: -1.450
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: 407
Temperature: 1.350000
Total energy: -165.089739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.089739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.089739 (E_RNA)
where:
Base-Base interactions energy: -46.446
where: short stacking energy: -40.431
Base-Backbone interact. energy: -0.456
local terms energy: -118.187206
where:
bonds (distance) C4'-P energy: -34.186
bonds (distance) P-C4' energy: -30.468
flat angles C4'-P-C4' energy: -34.085
flat angles P-C4'-P energy: -19.075
tors. eta vs tors. theta energy: -0.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -685.437269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.437269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.437269 (E_RNA)
where:
Base-Base interactions energy: -450.749
where: short stacking energy: -211.127
Base-Backbone interact. energy: -0.270
local terms energy: -234.417790
where:
bonds (distance) C4'-P energy: -44.054
bonds (distance) P-C4' energy: -39.751
flat angles C4'-P-C4' energy: -48.926
flat angles P-C4'-P energy: -35.296
tors. eta vs tors. theta energy: -66.390
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: 408
Temperature: 0.950000
Total energy: -646.346981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.346981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.346981 (E_RNA)
where:
Base-Base interactions energy: -444.764
where: short stacking energy: -196.548
Base-Backbone interact. energy: -0.318
local terms energy: -201.264927
where:
bonds (distance) C4'-P energy: -36.060
bonds (distance) P-C4' energy: -42.425
flat angles C4'-P-C4' energy: -42.775
flat angles P-C4'-P energy: -25.547
tors. eta vs tors. theta energy: -54.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -583.434389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.434389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.434389 (E_RNA)
where:
Base-Base interactions energy: -374.061
where: short stacking energy: -183.972
Base-Backbone interact. energy: -0.197
local terms energy: -209.175568
where:
bonds (distance) C4'-P energy: -37.131
bonds (distance) P-C4' energy: -39.123
flat angles C4'-P-C4' energy: -42.051
flat angles P-C4'-P energy: -31.665
tors. eta vs tors. theta energy: -59.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -557.672353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.672353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.672353 (E_RNA)
where:
Base-Base interactions energy: -358.660
where: short stacking energy: -164.456
Base-Backbone interact. energy: -0.897
local terms energy: -198.115522
where:
bonds (distance) C4'-P energy: -40.795
bonds (distance) P-C4' energy: -41.227
flat angles C4'-P-C4' energy: -44.136
flat angles P-C4'-P energy: -31.055
tors. eta vs tors. theta energy: -40.902
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: 1
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -543.863035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.863035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.863035 (E_RNA)
where:
Base-Base interactions energy: -354.690
where: short stacking energy: -153.496
Base-Backbone interact. energy: -0.244
local terms energy: -188.928161
where:
bonds (distance) C4'-P energy: -34.547
bonds (distance) P-C4' energy: -38.832
flat angles C4'-P-C4' energy: -41.016
flat angles P-C4'-P energy: -30.973
tors. eta vs tors. theta energy: -43.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -565.176588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.176588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.176588 (E_RNA)
where:
Base-Base interactions energy: -354.799
where: short stacking energy: -173.816
Base-Backbone interact. energy: -0.321
local terms energy: -210.056733
where:
bonds (distance) C4'-P energy: -43.834
bonds (distance) P-C4' energy: -38.856
flat angles C4'-P-C4' energy: -44.813
flat angles P-C4'-P energy: -29.532
tors. eta vs tors. theta energy: -53.021
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: 6
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -484.480563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.480563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.480563 (E_RNA)
where:
Base-Base interactions energy: -320.252
where: short stacking energy: -148.148
Base-Backbone interact. energy: -0.180
local terms energy: -164.048942
where:
bonds (distance) C4'-P energy: -29.410
bonds (distance) P-C4' energy: -42.206
flat angles C4'-P-C4' energy: -35.427
flat angles P-C4'-P energy: -21.029
tors. eta vs tors. theta energy: -35.978
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: 3
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -189.574206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.574206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.574206 (E_RNA)
where:
Base-Base interactions energy: -49.418
where: short stacking energy: -42.451
Base-Backbone interact. energy: -0.446
local terms energy: -139.710541
where:
bonds (distance) C4'-P energy: -41.267
bonds (distance) P-C4' energy: -34.788
flat angles C4'-P-C4' energy: -36.012
flat angles P-C4'-P energy: -28.852
tors. eta vs tors. theta energy: 1.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -221.147644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.147644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.147644 (E_RNA)
where:
Base-Base interactions energy: -88.538
where: short stacking energy: -52.572
Base-Backbone interact. energy: -1.374
local terms energy: -131.235148
where:
bonds (distance) C4'-P energy: -35.915
bonds (distance) P-C4' energy: -37.102
flat angles C4'-P-C4' energy: -35.680
flat angles P-C4'-P energy: -23.228
tors. eta vs tors. theta energy: 0.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -194.971872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.971872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.971872 (E_RNA)
where:
Base-Base interactions energy: -69.961
where: short stacking energy: -40.645
Base-Backbone interact. energy: 0.171
local terms energy: -125.182586
where:
bonds (distance) C4'-P energy: -28.285
bonds (distance) P-C4' energy: -44.795
flat angles C4'-P-C4' energy: -35.056
flat angles P-C4'-P energy: -20.859
tors. eta vs tors. theta energy: 3.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -672.776776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.776776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.776776 (E_RNA)
where:
Base-Base interactions energy: -460.549
where: short stacking energy: -215.374
Base-Backbone interact. energy: 0.528
local terms energy: -212.755581
where:
bonds (distance) C4'-P energy: -38.479
bonds (distance) P-C4' energy: -39.242
flat angles C4'-P-C4' energy: -41.674
flat angles P-C4'-P energy: -31.204
tors. eta vs tors. theta energy: -62.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -663.296293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.296293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.296293 (E_RNA)
where:
Base-Base interactions energy: -452.482
where: short stacking energy: -197.876
Base-Backbone interact. energy: -0.147
local terms energy: -210.667516
where:
bonds (distance) C4'-P energy: -39.049
bonds (distance) P-C4' energy: -38.455
flat angles C4'-P-C4' energy: -42.565
flat angles P-C4'-P energy: -30.164
tors. eta vs tors. theta energy: -60.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -576.667145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.667145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.667145 (E_RNA)
where:
Base-Base interactions energy: -376.662
where: short stacking energy: -186.483
Base-Backbone interact. energy: -0.332
local terms energy: -199.672208
where:
bonds (distance) C4'-P energy: -28.652
bonds (distance) P-C4' energy: -40.484
flat angles C4'-P-C4' energy: -44.179
flat angles P-C4'-P energy: -29.437
tors. eta vs tors. theta energy: -56.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -560.240265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.240265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.240265 (E_RNA)
where:
Base-Base interactions energy: -373.251
where: short stacking energy: -175.968
Base-Backbone interact. energy: -1.971
local terms energy: -185.018231
where:
bonds (distance) C4'-P energy: -34.561
bonds (distance) P-C4' energy: -35.097
flat angles C4'-P-C4' energy: -42.266
flat angles P-C4'-P energy: -23.931
tors. eta vs tors. theta energy: -49.163
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: 1
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -548.409361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.409361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.409361 (E_RNA)
where:
Base-Base interactions energy: -373.400
where: short stacking energy: -151.677
Base-Backbone interact. energy: -0.344
local terms energy: -174.665791
where:
bonds (distance) C4'-P energy: -40.666
bonds (distance) P-C4' energy: -33.261
flat angles C4'-P-C4' energy: -38.302
flat angles P-C4'-P energy: -21.541
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: 6, replica: 8
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -554.870602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.870602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.870602 (E_RNA)
where:
Base-Base interactions energy: -352.499
where: short stacking energy: -159.962
Base-Backbone interact. energy: 1.609
local terms energy: -203.980589
where:
bonds (distance) C4'-P energy: -28.650
bonds (distance) P-C4' energy: -44.856
flat angles C4'-P-C4' energy: -41.781
flat angles P-C4'-P energy: -34.467
tors. eta vs tors. theta energy: -54.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -459.225348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.225348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.225348 (E_RNA)
where:
Base-Base interactions energy: -283.530
where: short stacking energy: -116.868
Base-Backbone interact. energy: -0.051
local terms energy: -175.644872
where:
bonds (distance) C4'-P energy: -41.156
bonds (distance) P-C4' energy: -36.197
flat angles C4'-P-C4' energy: -35.240
flat angles P-C4'-P energy: -27.085
tors. eta vs tors. theta energy: -35.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -266.610973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.610973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.610973 (E_RNA)
where:
Base-Base interactions energy: -128.246
where: short stacking energy: -81.562
Base-Backbone interact. energy: -0.741
local terms energy: -137.623640
where:
bonds (distance) C4'-P energy: -29.837
bonds (distance) P-C4' energy: -31.569
flat angles C4'-P-C4' energy: -37.825
flat angles P-C4'-P energy: -27.556
tors. eta vs tors. theta energy: -10.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -178.770577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.770577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.770577 (E_RNA)
where:
Base-Base interactions energy: -56.137
where: short stacking energy: -44.705
Base-Backbone interact. energy: 0.189
local terms energy: -122.822308
where:
bonds (distance) C4'-P energy: -33.538
bonds (distance) P-C4' energy: -39.286
flat angles C4'-P-C4' energy: -33.051
flat angles P-C4'-P energy: -21.820
tors. eta vs tors. theta energy: 4.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -182.839112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.839112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.839112 (E_RNA)
where:
Base-Base interactions energy: -61.058
where: short stacking energy: -56.269
Base-Backbone interact. energy: -0.481
local terms energy: -121.300197
where:
bonds (distance) C4'-P energy: -41.662
bonds (distance) P-C4' energy: -37.719
flat angles C4'-P-C4' energy: -27.189
flat angles P-C4'-P energy: -18.095
tors. eta vs tors. theta energy: 3.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -676.034433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.034433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.034433 (E_RNA)
where:
Base-Base interactions energy: -445.221
where: short stacking energy: -201.246
Base-Backbone interact. energy: -0.698
local terms energy: -230.115254
where:
bonds (distance) C4'-P energy: -38.407
bonds (distance) P-C4' energy: -46.623
flat angles C4'-P-C4' energy: -50.612
flat angles P-C4'-P energy: -24.950
tors. eta vs tors. theta energy: -69.524
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: 2
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -653.387523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.387523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.387523 (E_RNA)
where:
Base-Base interactions energy: -444.987
where: short stacking energy: -198.971
Base-Backbone interact. energy: -0.718
local terms energy: -207.682236
where:
bonds (distance) C4'-P energy: -35.078
bonds (distance) P-C4' energy: -37.468
flat angles C4'-P-C4' energy: -46.974
flat angles P-C4'-P energy: -28.181
tors. eta vs tors. theta energy: -59.982
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: 3, replica: 7
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -597.025489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.025489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.025489 (E_RNA)
where:
Base-Base interactions energy: -407.616
where: short stacking energy: -187.365
Base-Backbone interact. energy: -0.133
local terms energy: -189.276792
where:
bonds (distance) C4'-P energy: -30.157
bonds (distance) P-C4' energy: -41.050
flat angles C4'-P-C4' energy: -40.360
flat angles P-C4'-P energy: -22.830
tors. eta vs tors. theta energy: -54.880
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: 9
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -580.641509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.641509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.641509 (E_RNA)
where:
Base-Base interactions energy: -376.464
where: short stacking energy: -178.201
Base-Backbone interact. energy: -0.490
local terms energy: -203.687353
where:
bonds (distance) C4'-P energy: -36.415
bonds (distance) P-C4' energy: -44.274
flat angles C4'-P-C4' energy: -44.080
flat angles P-C4'-P energy: -32.787
tors. eta vs tors. theta energy: -46.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -571.001945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.001945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.001945 (E_RNA)
where:
Base-Base interactions energy: -369.641
where: short stacking energy: -182.083
Base-Backbone interact. energy: -0.131
local terms energy: -201.230154
where:
bonds (distance) C4'-P energy: -33.596
bonds (distance) P-C4' energy: -40.714
flat angles C4'-P-C4' energy: -40.377
flat angles P-C4'-P energy: -31.846
tors. eta vs tors. theta energy: -54.698
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: 1
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -509.894735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.894735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.894735 (E_RNA)
where:
Base-Base interactions energy: -351.553
where: short stacking energy: -147.417
Base-Backbone interact. energy: 0.419
local terms energy: -158.760291
where:
bonds (distance) C4'-P energy: -26.004
bonds (distance) P-C4' energy: -38.919
flat angles C4'-P-C4' energy: -31.019
flat angles P-C4'-P energy: -25.232
tors. eta vs tors. theta energy: -37.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -420.934647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.934647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.934647 (E_RNA)
where:
Base-Base interactions energy: -269.335
where: short stacking energy: -116.444
Base-Backbone interact. energy: -0.758
local terms energy: -150.841371
where:
bonds (distance) C4'-P energy: -35.397
bonds (distance) P-C4' energy: -32.776
flat angles C4'-P-C4' energy: -28.845
flat angles P-C4'-P energy: -26.486
tors. eta vs tors. theta energy: -27.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -295.316781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.316781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.316781 (E_RNA)
where:
Base-Base interactions energy: -162.122
where: short stacking energy: -94.105
Base-Backbone interact. energy: -1.107
local terms energy: -132.087660
where:
bonds (distance) C4'-P energy: -32.209
bonds (distance) P-C4' energy: -39.692
flat angles C4'-P-C4' energy: -29.122
flat angles P-C4'-P energy: -22.569
tors. eta vs tors. theta energy: -8.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -197.427742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.427742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.427742 (E_RNA)
where:
Base-Base interactions energy: -82.343
where: short stacking energy: -74.455
Base-Backbone interact. energy: -0.656
local terms energy: -114.428259
where:
bonds (distance) C4'-P energy: -40.732
bonds (distance) P-C4' energy: -30.286
flat angles C4'-P-C4' energy: -25.077
flat angles P-C4'-P energy: -8.561
tors. eta vs tors. theta energy: -9.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -177.682467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.682467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.682467 (E_RNA)
where:
Base-Base interactions energy: -63.420
where: short stacking energy: -39.128
Base-Backbone interact. energy: -0.460
local terms energy: -113.802425
where:
bonds (distance) C4'-P energy: -26.561
bonds (distance) P-C4' energy: -29.759
flat angles C4'-P-C4' energy: -38.455
flat angles P-C4'-P energy: -16.949
tors. eta vs tors. theta energy: -2.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -650.729958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.729958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.729958 (E_RNA)
where:
Base-Base interactions energy: -433.911
where: short stacking energy: -199.136
Base-Backbone interact. energy: -1.736
local terms energy: -215.083481
where:
bonds (distance) C4'-P energy: -39.814
bonds (distance) P-C4' energy: -39.069
flat angles C4'-P-C4' energy: -43.605
flat angles P-C4'-P energy: -33.628
tors. eta vs tors. theta energy: -58.967
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: 2
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -630.902150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.902150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.902150 (E_RNA)
where:
Base-Base interactions energy: -415.805
where: short stacking energy: -191.085
Base-Backbone interact. energy: 3.509
local terms energy: -218.606307
where:
bonds (distance) C4'-P energy: -39.350
bonds (distance) P-C4' energy: -44.081
flat angles C4'-P-C4' energy: -47.047
flat angles P-C4'-P energy: -29.111
tors. eta vs tors. theta energy: -59.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -575.841316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.841316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.841316 (E_RNA)
where:
Base-Base interactions energy: -377.842
where: short stacking energy: -187.442
Base-Backbone interact. energy: -0.473
local terms energy: -197.526205
where:
bonds (distance) C4'-P energy: -28.309
bonds (distance) P-C4' energy: -41.912
flat angles C4'-P-C4' energy: -38.700
flat angles P-C4'-P energy: -30.388
tors. eta vs tors. theta energy: -58.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -589.206905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.206905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.206905 (E_RNA)
where:
Base-Base interactions energy: -392.974
where: short stacking energy: -190.581
Base-Backbone interact. energy: -0.098
local terms energy: -196.134875
where:
bonds (distance) C4'-P energy: -35.413
bonds (distance) P-C4' energy: -32.965
flat angles C4'-P-C4' energy: -37.857
flat angles P-C4'-P energy: -29.702
tors. eta vs tors. theta energy: -60.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -548.060246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.060246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.060246 (E_RNA)
where:
Base-Base interactions energy: -355.005
where: short stacking energy: -165.825
Base-Backbone interact. energy: -0.727
local terms energy: -192.327994
where:
bonds (distance) C4'-P energy: -29.155
bonds (distance) P-C4' energy: -41.899
flat angles C4'-P-C4' energy: -43.252
flat angles P-C4'-P energy: -30.730
tors. eta vs tors. theta energy: -47.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -547.242132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.242132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.242132 (E_RNA)
where:
Base-Base interactions energy: -365.535
where: short stacking energy: -152.858
Base-Backbone interact. energy: 0.378
local terms energy: -182.084983
where:
bonds (distance) C4'-P energy: -35.543
bonds (distance) P-C4' energy: -37.962
flat angles C4'-P-C4' energy: -41.472
flat angles P-C4'-P energy: -24.124
tors. eta vs tors. theta energy: -42.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -415.612883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.612883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.612883 (E_RNA)
where:
Base-Base interactions energy: -256.005
where: short stacking energy: -120.971
Base-Backbone interact. energy: -0.700
local terms energy: -158.908174
where:
bonds (distance) C4'-P energy: -35.239
bonds (distance) P-C4' energy: -34.941
flat angles C4'-P-C4' energy: -31.142
flat angles P-C4'-P energy: -25.969
tors. eta vs tors. theta energy: -31.617
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: 3
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -222.707511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.707511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.707511 (E_RNA)
where:
Base-Base interactions energy: -90.397
where: short stacking energy: -54.832
Base-Backbone interact. energy: -0.565
local terms energy: -131.745416
where:
bonds (distance) C4'-P energy: -39.706
bonds (distance) P-C4' energy: -31.966
flat angles C4'-P-C4' energy: -36.878
flat angles P-C4'-P energy: -24.251
tors. eta vs tors. theta energy: 1.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -285.940096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.940096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.940096 (E_RNA)
where:
Base-Base interactions energy: -153.060
where: short stacking energy: -83.833
Base-Backbone interact. energy: 1.064
local terms energy: -133.944411
where:
bonds (distance) C4'-P energy: -36.763
bonds (distance) P-C4' energy: -36.218
flat angles C4'-P-C4' energy: -26.681
flat angles P-C4'-P energy: -18.534
tors. eta vs tors. theta energy: -15.747
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: 411
Temperature: 1.350000
Total energy: -167.419772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.419772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.419772 (E_RNA)
where:
Base-Base interactions energy: -57.564
where: short stacking energy: -40.246
Base-Backbone interact. energy: -0.322
local terms energy: -109.533687
where:
bonds (distance) C4'-P energy: -28.628
bonds (distance) P-C4' energy: -42.844
flat angles C4'-P-C4' energy: -29.807
flat angles P-C4'-P energy: -9.736
tors. eta vs tors. theta energy: 1.481
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: 4
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -667.382728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.382728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.382728 (E_RNA)
where:
Base-Base interactions energy: -438.247
where: short stacking energy: -200.620
Base-Backbone interact. energy: -0.768
local terms energy: -228.367744
where:
bonds (distance) C4'-P energy: -44.486
bonds (distance) P-C4' energy: -39.836
flat angles C4'-P-C4' energy: -44.824
flat angles P-C4'-P energy: -36.302
tors. eta vs tors. theta energy: -62.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -630.905775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.905775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.905775 (E_RNA)
where:
Base-Base interactions energy: -421.434
where: short stacking energy: -177.352
Base-Backbone interact. energy: -0.771
local terms energy: -208.700883
where:
bonds (distance) C4'-P energy: -38.990
bonds (distance) P-C4' energy: -39.278
flat angles C4'-P-C4' energy: -42.543
flat angles P-C4'-P energy: -30.737
tors. eta vs tors. theta energy: -57.154
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: 7
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -571.962088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.962088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.962088 (E_RNA)
where:
Base-Base interactions energy: -366.185
where: short stacking energy: -181.009
Base-Backbone interact. energy: -1.781
local terms energy: -203.995621
where:
bonds (distance) C4'-P energy: -40.958
bonds (distance) P-C4' energy: -32.678
flat angles C4'-P-C4' energy: -41.063
flat angles P-C4'-P energy: -29.589
tors. eta vs tors. theta energy: -59.707
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: 8
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -580.059375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.059375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.059375 (E_RNA)
where:
Base-Base interactions energy: -385.089
where: short stacking energy: -182.114
Base-Backbone interact. energy: -0.165
local terms energy: -194.805507
where:
bonds (distance) C4'-P energy: -32.975
bonds (distance) P-C4' energy: -41.379
flat angles C4'-P-C4' energy: -34.560
flat angles P-C4'-P energy: -26.687
tors. eta vs tors. theta energy: -59.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -548.301737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.301737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.301737 (E_RNA)
where:
Base-Base interactions energy: -340.312
where: short stacking energy: -160.803
Base-Backbone interact. energy: -0.442
local terms energy: -207.546881
where:
bonds (distance) C4'-P energy: -40.008
bonds (distance) P-C4' energy: -45.556
flat angles C4'-P-C4' energy: -44.045
flat angles P-C4'-P energy: -24.163
tors. eta vs tors. theta energy: -53.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -537.345351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.345351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.345351 (E_RNA)
where:
Base-Base interactions energy: -358.573
where: short stacking energy: -157.149
Base-Backbone interact. energy: -0.463
local terms energy: -178.309402
where:
bonds (distance) C4'-P energy: -37.835
bonds (distance) P-C4' energy: -38.008
flat angles C4'-P-C4' energy: -39.629
flat angles P-C4'-P energy: -23.924
tors. eta vs tors. theta energy: -38.913
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: 6
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -453.256187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.256187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.256187 (E_RNA)
where:
Base-Base interactions energy: -292.072
where: short stacking energy: -132.754
Base-Backbone interact. energy: 0.852
local terms energy: -162.036156
where:
bonds (distance) C4'-P energy: -31.654
bonds (distance) P-C4' energy: -35.169
flat angles C4'-P-C4' energy: -38.241
flat angles P-C4'-P energy: -24.142
tors. eta vs tors. theta energy: -32.830
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: 3
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -198.040064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.040064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.040064 (E_RNA)
where:
Base-Base interactions energy: -75.873
where: short stacking energy: -67.207
Base-Backbone interact. energy: -0.623
local terms energy: -121.543995
where:
bonds (distance) C4'-P energy: -35.210
bonds (distance) P-C4' energy: -31.859
flat angles C4'-P-C4' energy: -28.142
flat angles P-C4'-P energy: -15.089
tors. eta vs tors. theta energy: -11.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -240.485792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.485792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.485792 (E_RNA)
where:
Base-Base interactions energy: -128.888
where: short stacking energy: -70.206
Base-Backbone interact. energy: 0.119
local terms energy: -111.715992
where:
bonds (distance) C4'-P energy: -30.842
bonds (distance) P-C4' energy: -36.436
flat angles C4'-P-C4' energy: -29.455
flat angles P-C4'-P energy: -12.287
tors. eta vs tors. theta energy: -2.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -170.698686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.698686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.698686 (E_RNA)
where:
Base-Base interactions energy: -54.862
where: short stacking energy: -37.161
Base-Backbone interact. energy: -0.675
local terms energy: -115.162449
where:
bonds (distance) C4'-P energy: -29.298
bonds (distance) P-C4' energy: -37.027
flat angles C4'-P-C4' energy: -27.432
flat angles P-C4'-P energy: -20.850
tors. eta vs tors. theta energy: -0.555
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: 4
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -656.515519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.515519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.515519 (E_RNA)
where:
Base-Base interactions energy: -444.542
where: short stacking energy: -189.896
Base-Backbone interact. energy: -1.175
local terms energy: -210.798456
where:
bonds (distance) C4'-P energy: -39.371
bonds (distance) P-C4' energy: -42.739
flat angles C4'-P-C4' energy: -41.314
flat angles P-C4'-P energy: -29.172
tors. eta vs tors. theta energy: -58.203
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: 413
Temperature: 0.950000
Total energy: -634.816490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.816490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.816490 (E_RNA)
where:
Base-Base interactions energy: -421.678
where: short stacking energy: -194.805
Base-Backbone interact. energy: -0.150
local terms energy: -212.988183
where:
bonds (distance) C4'-P energy: -37.318
bonds (distance) P-C4' energy: -43.970
flat angles C4'-P-C4' energy: -42.961
flat angles P-C4'-P energy: -33.860
tors. eta vs tors. theta energy: -54.879
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: 3, replica: 7
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -570.241635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.241635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.241635 (E_RNA)
where:
Base-Base interactions energy: -365.951
where: short stacking energy: -185.716
Base-Backbone interact. energy: -0.050
local terms energy: -204.240386
where:
bonds (distance) C4'-P energy: -34.756
bonds (distance) P-C4' energy: -44.096
flat angles C4'-P-C4' energy: -43.141
flat angles P-C4'-P energy: -28.195
tors. eta vs tors. theta energy: -54.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -576.117506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.117506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.117506 (E_RNA)
where:
Base-Base interactions energy: -368.223
where: short stacking energy: -181.223
Base-Backbone interact. energy: -0.086
local terms energy: -207.807982
where:
bonds (distance) C4'-P energy: -37.779
bonds (distance) P-C4' energy: -41.404
flat angles C4'-P-C4' energy: -40.449
flat angles P-C4'-P energy: -28.959
tors. eta vs tors. theta energy: -59.217
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: 8
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -560.835493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.835493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.835493 (E_RNA)
where:
Base-Base interactions energy: -369.497
where: short stacking energy: -177.096
Base-Backbone interact. energy: -0.081
local terms energy: -191.257531
where:
bonds (distance) C4'-P energy: -32.938
bonds (distance) P-C4' energy: -42.118
flat angles C4'-P-C4' energy: -41.712
flat angles P-C4'-P energy: -23.137
tors. eta vs tors. theta energy: -51.353
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: 1
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -534.408440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.408440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.408440 (E_RNA)
where:
Base-Base interactions energy: -354.202
where: short stacking energy: -153.244
Base-Backbone interact. energy: -2.505
local terms energy: -177.701076
where:
bonds (distance) C4'-P energy: -37.495
bonds (distance) P-C4' energy: -33.425
flat angles C4'-P-C4' energy: -36.748
flat angles P-C4'-P energy: -25.996
tors. eta vs tors. theta energy: -44.037
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: 6
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -425.609169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.609169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.609169 (E_RNA)
where:
Base-Base interactions energy: -270.823
where: short stacking energy: -135.623
Base-Backbone interact. energy: -0.236
local terms energy: -154.550445
where:
bonds (distance) C4'-P energy: -35.236
bonds (distance) P-C4' energy: -33.588
flat angles C4'-P-C4' energy: -30.210
flat angles P-C4'-P energy: -21.037
tors. eta vs tors. theta energy: -34.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -195.777405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.777405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.777405 (E_RNA)
where:
Base-Base interactions energy: -66.930
where: short stacking energy: -62.458
Base-Backbone interact. energy: 0.560
local terms energy: -129.407582
where:
bonds (distance) C4'-P energy: -41.536
bonds (distance) P-C4' energy: -32.751
flat angles C4'-P-C4' energy: -33.289
flat angles P-C4'-P energy: -16.046
tors. eta vs tors. theta energy: -5.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -181.032363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.032363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.032363 (E_RNA)
where:
Base-Base interactions energy: -64.316
where: short stacking energy: -51.183
Base-Backbone interact. energy: -1.335
local terms energy: -115.381215
where:
bonds (distance) C4'-P energy: -31.009
bonds (distance) P-C4' energy: -34.228
flat angles C4'-P-C4' energy: -36.661
flat angles P-C4'-P energy: -20.632
tors. eta vs tors. theta energy: 7.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -168.781766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.781766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.781766 (E_RNA)
where:
Base-Base interactions energy: -52.021
where: short stacking energy: -49.971
Base-Backbone interact. energy: -0.487
local terms energy: -116.274186
where:
bonds (distance) C4'-P energy: -33.328
bonds (distance) P-C4' energy: -25.615
flat angles C4'-P-C4' energy: -33.645
flat angles P-C4'-P energy: -22.351
tors. eta vs tors. theta energy: -1.336
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: 4
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -667.941157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.941157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.941157 (E_RNA)
where:
Base-Base interactions energy: -443.154
where: short stacking energy: -195.072
Base-Backbone interact. energy: -1.076
local terms energy: -223.711303
where:
bonds (distance) C4'-P energy: -37.543
bonds (distance) P-C4' energy: -42.779
flat angles C4'-P-C4' energy: -53.638
flat angles P-C4'-P energy: -29.773
tors. eta vs tors. theta energy: -59.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -642.664538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.664538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.664538 (E_RNA)
where:
Base-Base interactions energy: -421.258
where: short stacking energy: -191.736
Base-Backbone interact. energy: -0.563
local terms energy: -220.843212
where:
bonds (distance) C4'-P energy: -43.514
bonds (distance) P-C4' energy: -41.636
flat angles C4'-P-C4' energy: -43.933
flat angles P-C4'-P energy: -30.650
tors. eta vs tors. theta energy: -61.111
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: 7
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -577.965085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.965085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.965085 (E_RNA)
where:
Base-Base interactions energy: -378.170
where: short stacking energy: -181.644
Base-Backbone interact. energy: 0.699
local terms energy: -200.494441
where:
bonds (distance) C4'-P energy: -34.584
bonds (distance) P-C4' energy: -40.178
flat angles C4'-P-C4' energy: -45.909
flat angles P-C4'-P energy: -27.533
tors. eta vs tors. theta energy: -52.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -567.170967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.170967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.170967 (E_RNA)
where:
Base-Base interactions energy: -369.110
where: short stacking energy: -173.032
Base-Backbone interact. energy: -0.059
local terms energy: -198.001662
where:
bonds (distance) C4'-P energy: -39.797
bonds (distance) P-C4' energy: -35.831
flat angles C4'-P-C4' energy: -41.215
flat angles P-C4'-P energy: -27.113
tors. eta vs tors. theta energy: -54.045
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: 8
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -568.578664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.578664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.578664 (E_RNA)
where:
Base-Base interactions energy: -374.572
where: short stacking energy: -178.108
Base-Backbone interact. energy: -0.523
local terms energy: -193.482724
where:
bonds (distance) C4'-P energy: -38.185
bonds (distance) P-C4' energy: -36.243
flat angles C4'-P-C4' energy: -41.992
flat angles P-C4'-P energy: -23.582
tors. eta vs tors. theta energy: -53.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -507.887970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.887970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.887970 (E_RNA)
where:
Base-Base interactions energy: -338.263
where: short stacking energy: -141.056
Base-Backbone interact. energy: -0.663
local terms energy: -168.962049
where:
bonds (distance) C4'-P energy: -35.389
bonds (distance) P-C4' energy: -36.809
flat angles C4'-P-C4' energy: -37.307
flat angles P-C4'-P energy: -18.788
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: 7, replica: 6
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -408.787546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.787546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.787546 (E_RNA)
where:
Base-Base interactions energy: -237.865
where: short stacking energy: -107.670
Base-Backbone interact. energy: -0.523
local terms energy: -170.400109
where:
bonds (distance) C4'-P energy: -33.585
bonds (distance) P-C4' energy: -40.381
flat angles C4'-P-C4' energy: -39.642
flat angles P-C4'-P energy: -28.377
tors. eta vs tors. theta energy: -28.415
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: 8, replica: 10
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -215.064114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.064114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.064114 (E_RNA)
where:
Base-Base interactions energy: -88.983
where: short stacking energy: -79.118
Base-Backbone interact. energy: -0.378
local terms energy: -125.703206
where:
bonds (distance) C4'-P energy: -33.837
bonds (distance) P-C4' energy: -36.165
flat angles C4'-P-C4' energy: -34.595
flat angles P-C4'-P energy: -13.812
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: 3
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -191.422820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.422820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.422820 (E_RNA)
where:
Base-Base interactions energy: -73.617
where: short stacking energy: -67.086
Base-Backbone interact. energy: -0.414
local terms energy: -117.391601
where:
bonds (distance) C4'-P energy: -30.099
bonds (distance) P-C4' energy: -36.106
flat angles C4'-P-C4' energy: -32.673
flat angles P-C4'-P energy: -15.678
tors. eta vs tors. theta energy: -2.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -163.650203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.650203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.650203 (E_RNA)
where:
Base-Base interactions energy: -42.018
where: short stacking energy: -40.518
Base-Backbone interact. energy: -0.845
local terms energy: -120.787493
where:
bonds (distance) C4'-P energy: -39.998
bonds (distance) P-C4' energy: -29.271
flat angles C4'-P-C4' energy: -33.939
flat angles P-C4'-P energy: -15.641
tors. eta vs tors. theta energy: -1.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -666.982187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.982187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.982187 (E_RNA)
where:
Base-Base interactions energy: -443.708
where: short stacking energy: -199.831
Base-Backbone interact. energy: -0.276
local terms energy: -222.998554
where:
bonds (distance) C4'-P energy: -35.479
bonds (distance) P-C4' energy: -45.678
flat angles C4'-P-C4' energy: -49.349
flat angles P-C4'-P energy: -31.310
tors. eta vs tors. theta energy: -61.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -627.294293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.294293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.294293 (E_RNA)
where:
Base-Base interactions energy: -422.174
where: short stacking energy: -186.042
Base-Backbone interact. energy: -0.735
local terms energy: -204.385814
where:
bonds (distance) C4'-P energy: -37.965
bonds (distance) P-C4' energy: -33.297
flat angles C4'-P-C4' energy: -41.635
flat angles P-C4'-P energy: -31.525
tors. eta vs tors. theta energy: -59.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -584.445641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.445641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.445641 (E_RNA)
where:
Base-Base interactions energy: -375.644
where: short stacking energy: -188.901
Base-Backbone interact. energy: -0.948
local terms energy: -207.853020
where:
bonds (distance) C4'-P energy: -39.244
bonds (distance) P-C4' energy: -40.094
flat angles C4'-P-C4' energy: -46.199
flat angles P-C4'-P energy: -31.957
tors. eta vs tors. theta energy: -50.359
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: 4, replica: 8
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -570.120958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.120958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.120958 (E_RNA)
where:
Base-Base interactions energy: -378.876
where: short stacking energy: -185.933
Base-Backbone interact. energy: -0.676
local terms energy: -190.569035
where:
bonds (distance) C4'-P energy: -33.050
bonds (distance) P-C4' energy: -34.685
flat angles C4'-P-C4' energy: -38.239
flat angles P-C4'-P energy: -29.087
tors. eta vs tors. theta energy: -55.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -541.366945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.366945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.366945 (E_RNA)
where:
Base-Base interactions energy: -345.411
where: short stacking energy: -172.928
Base-Backbone interact. energy: -0.049
local terms energy: -195.907581
where:
bonds (distance) C4'-P energy: -40.299
bonds (distance) P-C4' energy: -36.752
flat angles C4'-P-C4' energy: -32.777
flat angles P-C4'-P energy: -29.546
tors. eta vs tors. theta energy: -56.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -495.604048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.604048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.604048 (E_RNA)
where:
Base-Base interactions energy: -340.457
where: short stacking energy: -141.229
Base-Backbone interact. energy: -0.642
local terms energy: -154.504764
where:
bonds (distance) C4'-P energy: -34.895
bonds (distance) P-C4' energy: -29.002
flat angles C4'-P-C4' energy: -28.088
flat angles P-C4'-P energy: -30.240
tors. eta vs tors. theta energy: -32.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -394.016682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.016682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.016682 (E_RNA)
where:
Base-Base interactions energy: -240.341
where: short stacking energy: -109.530
Base-Backbone interact. energy: -0.352
local terms energy: -153.323606
where:
bonds (distance) C4'-P energy: -38.532
bonds (distance) P-C4' energy: -30.661
flat angles C4'-P-C4' energy: -39.143
flat angles P-C4'-P energy: -20.748
tors. eta vs tors. theta energy: -24.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -205.836397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.836397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.836397 (E_RNA)
where:
Base-Base interactions energy: -75.503
where: short stacking energy: -59.659
Base-Backbone interact. energy: 0.482
local terms energy: -130.815699
where:
bonds (distance) C4'-P energy: -43.233
bonds (distance) P-C4' energy: -36.516
flat angles C4'-P-C4' energy: -34.635
flat angles P-C4'-P energy: -19.289
tors. eta vs tors. theta energy: 2.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -208.164274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.164274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.164274 (E_RNA)
where:
Base-Base interactions energy: -81.248
where: short stacking energy: -53.064
Base-Backbone interact. energy: -0.871
local terms energy: -126.046110
where:
bonds (distance) C4'-P energy: -30.872
bonds (distance) P-C4' energy: -25.976
flat angles C4'-P-C4' energy: -46.169
flat angles P-C4'-P energy: -21.306
tors. eta vs tors. theta energy: -1.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -174.214139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.214139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.214139 (E_RNA)
where:
Base-Base interactions energy: -77.608
where: short stacking energy: -51.216
Base-Backbone interact. energy: -0.746
local terms energy: -95.859279
where:
bonds (distance) C4'-P energy: -30.446
bonds (distance) P-C4' energy: -30.318
flat angles C4'-P-C4' energy: -21.970
flat angles P-C4'-P energy: -14.811
tors. eta vs tors. theta energy: 1.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -651.912247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.912247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.912247 (E_RNA)
where:
Base-Base interactions energy: -439.830
where: short stacking energy: -194.710
Base-Backbone interact. energy: 1.195
local terms energy: -213.277759
where:
bonds (distance) C4'-P energy: -39.715
bonds (distance) P-C4' energy: -44.917
flat angles C4'-P-C4' energy: -41.088
flat angles P-C4'-P energy: -28.135
tors. eta vs tors. theta energy: -59.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -638.205693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.205693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.205693 (E_RNA)
where:
Base-Base interactions energy: -438.712
where: short stacking energy: -188.687
Base-Backbone interact. energy: 3.149
local terms energy: -202.642227
where:
bonds (distance) C4'-P energy: -35.953
bonds (distance) P-C4' energy: -43.250
flat angles C4'-P-C4' energy: -38.813
flat angles P-C4'-P energy: -28.485
tors. eta vs tors. theta energy: -56.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -607.284410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.284410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.284410 (E_RNA)
where:
Base-Base interactions energy: -397.554
where: short stacking energy: -196.050
Base-Backbone interact. energy: -0.841
local terms energy: -208.889515
where:
bonds (distance) C4'-P energy: -40.399
bonds (distance) P-C4' energy: -35.339
flat angles C4'-P-C4' energy: -44.186
flat angles P-C4'-P energy: -32.105
tors. eta vs tors. theta energy: -56.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -570.735160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.735160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.735160 (E_RNA)
where:
Base-Base interactions energy: -373.784
where: short stacking energy: -176.988
Base-Backbone interact. energy: -0.501
local terms energy: -196.449964
where:
bonds (distance) C4'-P energy: -41.908
bonds (distance) P-C4' energy: -38.778
flat angles C4'-P-C4' energy: -37.149
flat angles P-C4'-P energy: -23.771
tors. eta vs tors. theta energy: -54.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -558.875014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.875014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.875014 (E_RNA)
where:
Base-Base interactions energy: -352.625
where: short stacking energy: -175.205
Base-Backbone interact. energy: -0.447
local terms energy: -205.803749
where:
bonds (distance) C4'-P energy: -39.350
bonds (distance) P-C4' energy: -34.688
flat angles C4'-P-C4' energy: -45.823
flat angles P-C4'-P energy: -34.263
tors. eta vs tors. theta energy: -51.680
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: 1
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -471.972886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.972886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.972886 (E_RNA)
where:
Base-Base interactions energy: -295.576
where: short stacking energy: -127.696
Base-Backbone interact. energy: 0.664
local terms energy: -177.060809
where:
bonds (distance) C4'-P energy: -38.391
bonds (distance) P-C4' energy: -38.252
flat angles C4'-P-C4' energy: -38.716
flat angles P-C4'-P energy: -28.217
tors. eta vs tors. theta energy: -33.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -389.402974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.402974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.402974 (E_RNA)
where:
Base-Base interactions energy: -224.497
where: short stacking energy: -102.431
Base-Backbone interact. energy: -0.469
local terms energy: -164.436493
where:
bonds (distance) C4'-P energy: -25.576
bonds (distance) P-C4' energy: -44.237
flat angles C4'-P-C4' energy: -37.851
flat angles P-C4'-P energy: -31.729
tors. eta vs tors. theta energy: -25.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -195.590111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.590111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.590111 (E_RNA)
where:
Base-Base interactions energy: -79.578
where: short stacking energy: -43.530
Base-Backbone interact. energy: 5.977
local terms energy: -121.988956
where:
bonds (distance) C4'-P energy: -38.465
bonds (distance) P-C4' energy: -42.666
flat angles C4'-P-C4' energy: -29.776
flat angles P-C4'-P energy: -17.780
tors. eta vs tors. theta energy: 6.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -191.810555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.810555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.810555 (E_RNA)
where:
Base-Base interactions energy: -70.673
where: short stacking energy: -48.054
Base-Backbone interact. energy: -0.522
local terms energy: -120.615493
where:
bonds (distance) C4'-P energy: -40.946
bonds (distance) P-C4' energy: -35.999
flat angles C4'-P-C4' energy: -30.298
flat angles P-C4'-P energy: -19.526
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: 10, replica: 5
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -184.643527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.643527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.643527 (E_RNA)
where:
Base-Base interactions energy: -65.496
where: short stacking energy: -54.134
Base-Backbone interact. energy: -0.159
local terms energy: -118.988155
where:
bonds (distance) C4'-P energy: -35.039
bonds (distance) P-C4' energy: -38.983
flat angles C4'-P-C4' energy: -27.644
flat angles P-C4'-P energy: -2.785
tors. eta vs tors. theta energy: -14.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -655.273347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.273347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.273347 (E_RNA)
where:
Base-Base interactions energy: -437.562
where: short stacking energy: -195.626
Base-Backbone interact. energy: -0.799
local terms energy: -216.912219
where:
bonds (distance) C4'-P energy: -38.945
bonds (distance) P-C4' energy: -35.589
flat angles C4'-P-C4' energy: -46.224
flat angles P-C4'-P energy: -35.927
tors. eta vs tors. theta energy: -60.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -654.883285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.883285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.883285 (E_RNA)
where:
Base-Base interactions energy: -433.832
where: short stacking energy: -184.650
Base-Backbone interact. energy: -0.388
local terms energy: -220.663343
where:
bonds (distance) C4'-P energy: -43.440
bonds (distance) P-C4' energy: -43.784
flat angles C4'-P-C4' energy: -42.749
flat angles P-C4'-P energy: -29.278
tors. eta vs tors. theta energy: -61.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -607.423742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.423742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.423742 (E_RNA)
where:
Base-Base interactions energy: -397.517
where: short stacking energy: -197.398
Base-Backbone interact. energy: -0.535
local terms energy: -209.371841
where:
bonds (distance) C4'-P energy: -38.214
bonds (distance) P-C4' energy: -37.375
flat angles C4'-P-C4' energy: -43.515
flat angles P-C4'-P energy: -28.447
tors. eta vs tors. theta energy: -61.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -570.095102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.095102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.095102 (E_RNA)
where:
Base-Base interactions energy: -379.401
where: short stacking energy: -187.443
Base-Backbone interact. energy: -0.357
local terms energy: -190.337652
where:
bonds (distance) C4'-P energy: -34.281
bonds (distance) P-C4' energy: -38.878
flat angles C4'-P-C4' energy: -36.167
flat angles P-C4'-P energy: -24.072
tors. eta vs tors. theta energy: -56.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -567.008848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.008848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.008848 (E_RNA)
where:
Base-Base interactions energy: -369.601
where: short stacking energy: -168.167
Base-Backbone interact. energy: -0.563
local terms energy: -196.844708
where:
bonds (distance) C4'-P energy: -36.662
bonds (distance) P-C4' energy: -36.479
flat angles C4'-P-C4' energy: -43.646
flat angles P-C4'-P energy: -28.397
tors. eta vs tors. theta energy: -51.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -553.087565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.087565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.087565 (E_RNA)
where:
Base-Base interactions energy: -377.759
where: short stacking energy: -166.032
Base-Backbone interact. energy: 3.025
local terms energy: -178.352987
where:
bonds (distance) C4'-P energy: -35.147
bonds (distance) P-C4' energy: -34.215
flat angles C4'-P-C4' energy: -36.801
flat angles P-C4'-P energy: -22.902
tors. eta vs tors. theta energy: -49.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -413.106020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.106020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.106020 (E_RNA)
where:
Base-Base interactions energy: -244.702
where: short stacking energy: -133.525
Base-Backbone interact. energy: -0.594
local terms energy: -167.810410
where:
bonds (distance) C4'-P energy: -34.884
bonds (distance) P-C4' energy: -43.271
flat angles C4'-P-C4' energy: -33.526
flat angles P-C4'-P energy: -22.564
tors. eta vs tors. theta energy: -33.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -202.565128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.565128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.565128 (E_RNA)
where:
Base-Base interactions energy: -76.574
where: short stacking energy: -56.858
Base-Backbone interact. energy: 1.263
local terms energy: -127.254126
where:
bonds (distance) C4'-P energy: -31.134
bonds (distance) P-C4' energy: -28.180
flat angles C4'-P-C4' energy: -41.678
flat angles P-C4'-P energy: -23.837
tors. eta vs tors. theta energy: -2.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -173.127089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.127089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.127089 (E_RNA)
where:
Base-Base interactions energy: -69.280
where: short stacking energy: -45.915
Base-Backbone interact. energy: 3.214
local terms energy: -107.060404
where:
bonds (distance) C4'-P energy: -36.394
bonds (distance) P-C4' energy: -33.096
flat angles C4'-P-C4' energy: -22.623
flat angles P-C4'-P energy: -17.502
tors. eta vs tors. theta energy: 2.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -172.774629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.774629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.774629 (E_RNA)
where:
Base-Base interactions energy: -59.470
where: short stacking energy: -46.805
Base-Backbone interact. energy: -0.633
local terms energy: -112.671932
where:
bonds (distance) C4'-P energy: -35.564
bonds (distance) P-C4' energy: -34.211
flat angles C4'-P-C4' energy: -29.981
flat angles P-C4'-P energy: -20.284
tors. eta vs tors. theta energy: 7.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -658.188591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.188591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.188591 (E_RNA)
where:
Base-Base interactions energy: -447.659
where: short stacking energy: -193.905
Base-Backbone interact. energy: -0.571
local terms energy: -209.958202
where:
bonds (distance) C4'-P energy: -38.944
bonds (distance) P-C4' energy: -44.013
flat angles C4'-P-C4' energy: -39.655
flat angles P-C4'-P energy: -26.282
tors. eta vs tors. theta energy: -61.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -653.640268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.640268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.640268 (E_RNA)
where:
Base-Base interactions energy: -436.567
where: short stacking energy: -207.371
Base-Backbone interact. energy: -1.310
local terms energy: -215.763348
where:
bonds (distance) C4'-P energy: -32.934
bonds (distance) P-C4' energy: -40.578
flat angles C4'-P-C4' energy: -44.212
flat angles P-C4'-P energy: -32.187
tors. eta vs tors. theta energy: -65.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -586.529512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.529512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.529512 (E_RNA)
where:
Base-Base interactions energy: -381.304
where: short stacking energy: -188.864
Base-Backbone interact. energy: -0.118
local terms energy: -205.107374
where:
bonds (distance) C4'-P energy: -36.681
bonds (distance) P-C4' energy: -42.166
flat angles C4'-P-C4' energy: -39.123
flat angles P-C4'-P energy: -30.313
tors. eta vs tors. theta energy: -56.824
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: 7
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -576.952298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.952298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.952298 (E_RNA)
where:
Base-Base interactions energy: -393.193
where: short stacking energy: -187.577
Base-Backbone interact. energy: 1.217
local terms energy: -184.976086
where:
bonds (distance) C4'-P energy: -30.345
bonds (distance) P-C4' energy: -32.279
flat angles C4'-P-C4' energy: -39.962
flat angles P-C4'-P energy: -25.631
tors. eta vs tors. theta energy: -56.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -555.460614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.460614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.460614 (E_RNA)
where:
Base-Base interactions energy: -352.040
where: short stacking energy: -175.590
Base-Backbone interact. energy: -0.782
local terms energy: -202.638533
where:
bonds (distance) C4'-P energy: -39.586
bonds (distance) P-C4' energy: -37.467
flat angles C4'-P-C4' energy: -41.836
flat angles P-C4'-P energy: -30.593
tors. eta vs tors. theta energy: -53.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -529.997054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.997054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.997054 (E_RNA)
where:
Base-Base interactions energy: -351.117
where: short stacking energy: -146.169
Base-Backbone interact. energy: -0.831
local terms energy: -178.049792
where:
bonds (distance) C4'-P energy: -33.418
bonds (distance) P-C4' energy: -34.960
flat angles C4'-P-C4' energy: -42.204
flat angles P-C4'-P energy: -21.618
tors. eta vs tors. theta energy: -45.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -400.382714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.382714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.382714 (E_RNA)
where:
Base-Base interactions energy: -249.301
where: short stacking energy: -127.679
Base-Backbone interact. energy: -0.263
local terms energy: -150.819054
where:
bonds (distance) C4'-P energy: -32.292
bonds (distance) P-C4' energy: -39.465
flat angles C4'-P-C4' energy: -27.894
flat angles P-C4'-P energy: -23.919
tors. eta vs tors. theta energy: -27.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -195.136423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.136423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.136423 (E_RNA)
where:
Base-Base interactions energy: -75.837
where: short stacking energy: -57.055
Base-Backbone interact. energy: 0.594
local terms energy: -119.893238
where:
bonds (distance) C4'-P energy: -33.519
bonds (distance) P-C4' energy: -40.338
flat angles C4'-P-C4' energy: -29.480
flat angles P-C4'-P energy: -12.579
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: 9, replica: 10
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -190.098511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.098511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.098511 (E_RNA)
where:
Base-Base interactions energy: -78.659
where: short stacking energy: -58.609
Base-Backbone interact. energy: 1.200
local terms energy: -112.639704
where:
bonds (distance) C4'-P energy: -35.566
bonds (distance) P-C4' energy: -32.865
flat angles C4'-P-C4' energy: -26.373
flat angles P-C4'-P energy: -23.171
tors. eta vs tors. theta energy: 5.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -170.004281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.004281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.004281 (E_RNA)
where:
Base-Base interactions energy: -52.070
where: short stacking energy: -52.070
Base-Backbone interact. energy: -0.402
local terms energy: -117.531767
where:
bonds (distance) C4'-P energy: -39.894
bonds (distance) P-C4' energy: -33.173
flat angles C4'-P-C4' energy: -33.610
flat angles P-C4'-P energy: -7.791
tors. eta vs tors. theta energy: -3.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -661.744646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.744646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.744646 (E_RNA)
where:
Base-Base interactions energy: -446.553
where: short stacking energy: -199.666
Base-Backbone interact. energy: -0.174
local terms energy: -215.017814
where:
bonds (distance) C4'-P energy: -33.409
bonds (distance) P-C4' energy: -42.829
flat angles C4'-P-C4' energy: -46.653
flat angles P-C4'-P energy: -28.399
tors. eta vs tors. theta energy: -63.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -640.528736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.528736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.528736 (E_RNA)
where:
Base-Base interactions energy: -427.658
where: short stacking energy: -191.083
Base-Backbone interact. energy: -0.673
local terms energy: -212.198346
where:
bonds (distance) C4'-P energy: -40.886
bonds (distance) P-C4' energy: -39.284
flat angles C4'-P-C4' energy: -44.212
flat angles P-C4'-P energy: -30.947
tors. eta vs tors. theta energy: -56.870
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: 8
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -602.040209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.040209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.040209 (E_RNA)
where:
Base-Base interactions energy: -391.432
where: short stacking energy: -204.009
Base-Backbone interact. energy: -0.027
local terms energy: -210.580827
where:
bonds (distance) C4'-P energy: -37.030
bonds (distance) P-C4' energy: -39.584
flat angles C4'-P-C4' energy: -42.105
flat angles P-C4'-P energy: -24.932
tors. eta vs tors. theta energy: -66.930
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: 419
Temperature: 1.050000
Total energy: -558.527553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.527553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.527553 (E_RNA)
where:
Base-Base interactions energy: -361.009
where: short stacking energy: -175.046
Base-Backbone interact. energy: 0.036
local terms energy: -197.553965
where:
bonds (distance) C4'-P energy: -34.259
bonds (distance) P-C4' energy: -36.357
flat angles C4'-P-C4' energy: -45.350
flat angles P-C4'-P energy: -30.984
tors. eta vs tors. theta energy: -50.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -562.691934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.691934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.691934 (E_RNA)
where:
Base-Base interactions energy: -371.125
where: short stacking energy: -181.306
Base-Backbone interact. energy: -0.347
local terms energy: -191.220237
where:
bonds (distance) C4'-P energy: -23.835
bonds (distance) P-C4' energy: -39.250
flat angles C4'-P-C4' energy: -40.286
flat angles P-C4'-P energy: -27.064
tors. eta vs tors. theta energy: -60.786
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: 1
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -524.091399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.091399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.091399 (E_RNA)
where:
Base-Base interactions energy: -339.636
where: short stacking energy: -157.110
Base-Backbone interact. energy: -1.017
local terms energy: -183.437951
where:
bonds (distance) C4'-P energy: -34.492
bonds (distance) P-C4' energy: -35.901
flat angles C4'-P-C4' energy: -42.723
flat angles P-C4'-P energy: -24.712
tors. eta vs tors. theta energy: -45.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -361.459951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.459951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.459951 (E_RNA)
where:
Base-Base interactions energy: -217.601
where: short stacking energy: -107.176
Base-Backbone interact. energy: -0.674
local terms energy: -143.185212
where:
bonds (distance) C4'-P energy: -35.720
bonds (distance) P-C4' energy: -37.251
flat angles C4'-P-C4' energy: -27.944
flat angles P-C4'-P energy: -22.011
tors. eta vs tors. theta energy: -20.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -196.776837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.776837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.776837 (E_RNA)
where:
Base-Base interactions energy: -69.608
where: short stacking energy: -65.176
Base-Backbone interact. energy: 0.270
local terms energy: -127.437929
where:
bonds (distance) C4'-P energy: -23.403
bonds (distance) P-C4' energy: -37.395
flat angles C4'-P-C4' energy: -31.477
flat angles P-C4'-P energy: -29.265
tors. eta vs tors. theta energy: -5.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -170.342663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.342663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.342663 (E_RNA)
where:
Base-Base interactions energy: -70.853
where: short stacking energy: -57.832
Base-Backbone interact. energy: -0.666
local terms energy: -98.823901
where:
bonds (distance) C4'-P energy: -30.824
bonds (distance) P-C4' energy: -22.890
flat angles C4'-P-C4' energy: -33.347
flat angles P-C4'-P energy: -8.734
tors. eta vs tors. theta energy: -3.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -164.244267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.244267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.244267 (E_RNA)
where:
Base-Base interactions energy: -55.504
where: short stacking energy: -37.526
Base-Backbone interact. energy: -0.368
local terms energy: -108.372254
where:
bonds (distance) C4'-P energy: -37.994
bonds (distance) P-C4' energy: -31.869
flat angles C4'-P-C4' energy: -27.702
flat angles P-C4'-P energy: -15.239
tors. eta vs tors. theta energy: 4.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -667.431906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.431906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.431906 (E_RNA)
where:
Base-Base interactions energy: -444.877
where: short stacking energy: -191.632
Base-Backbone interact. energy: -1.010
local terms energy: -221.545058
where:
bonds (distance) C4'-P energy: -39.629
bonds (distance) P-C4' energy: -47.617
flat angles C4'-P-C4' energy: -39.333
flat angles P-C4'-P energy: -33.993
tors. eta vs tors. theta energy: -60.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -648.922935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.922935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.922935 (E_RNA)
where:
Base-Base interactions energy: -447.330
where: short stacking energy: -195.329
Base-Backbone interact. energy: -0.466
local terms energy: -201.126088
where:
bonds (distance) C4'-P energy: -37.446
bonds (distance) P-C4' energy: -36.713
flat angles C4'-P-C4' energy: -41.687
flat angles P-C4'-P energy: -24.317
tors. eta vs tors. theta energy: -60.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -614.211712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.211712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.211712 (E_RNA)
where:
Base-Base interactions energy: -392.357
where: short stacking energy: -196.109
Base-Backbone interact. energy: -0.202
local terms energy: -221.652715
where:
bonds (distance) C4'-P energy: -39.265
bonds (distance) P-C4' energy: -39.914
flat angles C4'-P-C4' energy: -49.559
flat angles P-C4'-P energy: -30.589
tors. eta vs tors. theta energy: -62.326
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: 8
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -587.024390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.024390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.024390 (E_RNA)
where:
Base-Base interactions energy: -388.301
where: short stacking energy: -183.353
Base-Backbone interact. energy: -0.962
local terms energy: -197.761280
where:
bonds (distance) C4'-P energy: -34.162
bonds (distance) P-C4' energy: -39.937
flat angles C4'-P-C4' energy: -41.445
flat angles P-C4'-P energy: -26.129
tors. eta vs tors. theta energy: -56.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -582.051971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.051971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.051971 (E_RNA)
where:
Base-Base interactions energy: -382.355
where: short stacking energy: -191.551
Base-Backbone interact. energy: -0.386
local terms energy: -199.310596
where:
bonds (distance) C4'-P energy: -36.935
bonds (distance) P-C4' energy: -37.601
flat angles C4'-P-C4' energy: -43.582
flat angles P-C4'-P energy: -28.098
tors. eta vs tors. theta energy: -53.094
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: 6, replica: 1
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -554.571622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.571622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.571622 (E_RNA)
where:
Base-Base interactions energy: -365.168
where: short stacking energy: -150.938
Base-Backbone interact. energy: 1.256
local terms energy: -190.659931
where:
bonds (distance) C4'-P energy: -40.957
bonds (distance) P-C4' energy: -35.518
flat angles C4'-P-C4' energy: -39.183
flat angles P-C4'-P energy: -26.408
tors. eta vs tors. theta energy: -48.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -328.656273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.656273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.656273 (E_RNA)
where:
Base-Base interactions energy: -185.465
where: short stacking energy: -102.417
Base-Backbone interact. energy: -0.125
local terms energy: -143.066733
where:
bonds (distance) C4'-P energy: -37.447
bonds (distance) P-C4' energy: -37.992
flat angles C4'-P-C4' energy: -31.588
flat angles P-C4'-P energy: -16.128
tors. eta vs tors. theta energy: -19.912
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: 10
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -195.702050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.702050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.702050 (E_RNA)
where:
Base-Base interactions energy: -81.842
where: short stacking energy: -66.108
Base-Backbone interact. energy: -1.013
local terms energy: -112.846745
where:
bonds (distance) C4'-P energy: -27.527
bonds (distance) P-C4' energy: -25.947
flat angles C4'-P-C4' energy: -35.940
flat angles P-C4'-P energy: -21.667
tors. eta vs tors. theta energy: -1.766
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: 3
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -188.640057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.640057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.640057 (E_RNA)
where:
Base-Base interactions energy: -88.583
where: short stacking energy: -49.909
Base-Backbone interact. energy: 2.891
local terms energy: -102.947318
where:
bonds (distance) C4'-P energy: -31.686
bonds (distance) P-C4' energy: -37.963
flat angles C4'-P-C4' energy: -22.286
flat angles P-C4'-P energy: -14.530
tors. eta vs tors. theta energy: 3.517
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: 420
Temperature: 1.350000
Total energy: -178.464539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.464539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.464539 (E_RNA)
where:
Base-Base interactions energy: -60.488
where: short stacking energy: -58.899
Base-Backbone interact. energy: 0.585
local terms energy: -118.561932
where:
bonds (distance) C4'-P energy: -28.068
bonds (distance) P-C4' energy: -32.857
flat angles C4'-P-C4' energy: -32.354
flat angles P-C4'-P energy: -20.738
tors. eta vs tors. theta energy: -4.546
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: 421
Temperature: 0.900000
Total energy: -660.356586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.356586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.356586 (E_RNA)
where:
Base-Base interactions energy: -439.787
where: short stacking energy: -192.080
Base-Backbone interact. energy: -0.360
local terms energy: -220.209093
where:
bonds (distance) C4'-P energy: -39.441
bonds (distance) P-C4' energy: -42.265
flat angles C4'-P-C4' energy: -43.642
flat angles P-C4'-P energy: -27.648
tors. eta vs tors. theta energy: -67.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -654.422561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.422561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.422561 (E_RNA)
where:
Base-Base interactions energy: -433.670
where: short stacking energy: -195.777
Base-Backbone interact. energy: -0.189
local terms energy: -220.563753
where:
bonds (distance) C4'-P energy: -35.963
bonds (distance) P-C4' energy: -41.740
flat angles C4'-P-C4' energy: -45.565
flat angles P-C4'-P energy: -31.807
tors. eta vs tors. theta energy: -65.488
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: 421
Temperature: 1.000000
Total energy: -602.405641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.405641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.405641 (E_RNA)
where:
Base-Base interactions energy: -397.702
where: short stacking energy: -201.161
Base-Backbone interact. energy: -0.793
local terms energy: -203.910622
where:
bonds (distance) C4'-P energy: -36.018
bonds (distance) P-C4' energy: -36.914
flat angles C4'-P-C4' energy: -43.465
flat angles P-C4'-P energy: -27.442
tors. eta vs tors. theta energy: -60.071
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: 4, replica: 9
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -583.253714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.253714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.253714 (E_RNA)
where:
Base-Base interactions energy: -380.966
where: short stacking energy: -184.660
Base-Backbone interact. energy: 0.867
local terms energy: -203.154100
where:
bonds (distance) C4'-P energy: -31.641
bonds (distance) P-C4' energy: -40.048
flat angles C4'-P-C4' energy: -43.123
flat angles P-C4'-P energy: -28.266
tors. eta vs tors. theta energy: -60.076
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: 5, replica: 8
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -567.856134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.856134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.856134 (E_RNA)
where:
Base-Base interactions energy: -379.660
where: short stacking energy: -174.218
Base-Backbone interact. energy: -0.526
local terms energy: -187.669691
where:
bonds (distance) C4'-P energy: -30.221
bonds (distance) P-C4' energy: -33.949
flat angles C4'-P-C4' energy: -43.109
flat angles P-C4'-P energy: -25.076
tors. eta vs tors. theta energy: -55.315
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: 6, replica: 1
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -522.682789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.682789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.682789 (E_RNA)
where:
Base-Base interactions energy: -350.592
where: short stacking energy: -143.317
Base-Backbone interact. energy: -0.510
local terms energy: -171.581595
where:
bonds (distance) C4'-P energy: -28.337
bonds (distance) P-C4' energy: -40.766
flat angles C4'-P-C4' energy: -33.384
flat angles P-C4'-P energy: -27.758
tors. eta vs tors. theta energy: -41.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -332.071716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.071716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.071716 (E_RNA)
where:
Base-Base interactions energy: -176.817
where: short stacking energy: -99.708
Base-Backbone interact. energy: -1.339
local terms energy: -153.915801
where:
bonds (distance) C4'-P energy: -34.721
bonds (distance) P-C4' energy: -38.121
flat angles C4'-P-C4' energy: -31.014
flat angles P-C4'-P energy: -26.834
tors. eta vs tors. theta energy: -23.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -194.743478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.743478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.743478 (E_RNA)
where:
Base-Base interactions energy: -69.693
where: short stacking energy: -64.591
Base-Backbone interact. energy: -2.627
local terms energy: -122.423888
where:
bonds (distance) C4'-P energy: -32.454
bonds (distance) P-C4' energy: -32.794
flat angles C4'-P-C4' energy: -28.436
flat angles P-C4'-P energy: -23.168
tors. eta vs tors. theta energy: -5.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -187.888452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.888452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.888452 (E_RNA)
where:
Base-Base interactions energy: -80.063
where: short stacking energy: -53.887
Base-Backbone interact. energy: -0.092
local terms energy: -107.733569
where:
bonds (distance) C4'-P energy: -24.194
bonds (distance) P-C4' energy: -34.494
flat angles C4'-P-C4' energy: -25.764
flat angles P-C4'-P energy: -22.359
tors. eta vs tors. theta energy: -0.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -169.527238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.527238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.527238 (E_RNA)
where:
Base-Base interactions energy: -36.412
where: short stacking energy: -34.468
Base-Backbone interact. energy: 0.797
local terms energy: -133.912619
where:
bonds (distance) C4'-P energy: -40.656
bonds (distance) P-C4' energy: -36.086
flat angles C4'-P-C4' energy: -34.080
flat angles P-C4'-P energy: -24.015
tors. eta vs tors. theta energy: 0.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -683.855900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.855900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.855900 (E_RNA)
where:
Base-Base interactions energy: -460.345
where: short stacking energy: -211.647
Base-Backbone interact. energy: -1.374
local terms energy: -222.137457
where:
bonds (distance) C4'-P energy: -46.790
bonds (distance) P-C4' energy: -39.425
flat angles C4'-P-C4' energy: -41.412
flat angles P-C4'-P energy: -30.977
tors. eta vs tors. theta energy: -63.534
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: 2, replica: 2
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -644.909198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.909198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.909198 (E_RNA)
where:
Base-Base interactions energy: -446.018
where: short stacking energy: -185.254
Base-Backbone interact. energy: -0.344
local terms energy: -198.547260
where:
bonds (distance) C4'-P energy: -33.417
bonds (distance) P-C4' energy: -36.529
flat angles C4'-P-C4' energy: -39.843
flat angles P-C4'-P energy: -32.473
tors. eta vs tors. theta energy: -56.287
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: 9
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -579.744499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.744499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.744499 (E_RNA)
where:
Base-Base interactions energy: -376.130
where: short stacking energy: -180.418
Base-Backbone interact. energy: -1.151
local terms energy: -202.463446
where:
bonds (distance) C4'-P energy: -38.895
bonds (distance) P-C4' energy: -37.832
flat angles C4'-P-C4' energy: -44.886
flat angles P-C4'-P energy: -28.575
tors. eta vs tors. theta energy: -52.275
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: 4, replica: 7
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -567.264832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.264832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.264832 (E_RNA)
where:
Base-Base interactions energy: -374.563
where: short stacking energy: -176.669
Base-Backbone interact. energy: -0.502
local terms energy: -192.200409
where:
bonds (distance) C4'-P energy: -31.601
bonds (distance) P-C4' energy: -36.930
flat angles C4'-P-C4' energy: -43.919
flat angles P-C4'-P energy: -25.053
tors. eta vs tors. theta energy: -54.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -581.490558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.490558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.490558 (E_RNA)
where:
Base-Base interactions energy: -388.774
where: short stacking energy: -178.412
Base-Backbone interact. energy: -1.022
local terms energy: -191.694265
where:
bonds (distance) C4'-P energy: -35.934
bonds (distance) P-C4' energy: -32.976
flat angles C4'-P-C4' energy: -38.555
flat angles P-C4'-P energy: -26.220
tors. eta vs tors. theta energy: -58.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -460.523046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.523046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.523046 (E_RNA)
where:
Base-Base interactions energy: -298.783
where: short stacking energy: -130.526
Base-Backbone interact. energy: 3.494
local terms energy: -165.234058
where:
bonds (distance) C4'-P energy: -37.888
bonds (distance) P-C4' energy: -35.037
flat angles C4'-P-C4' energy: -40.861
flat angles P-C4'-P energy: -21.246
tors. eta vs tors. theta energy: -30.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -333.311678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.311678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.311678 (E_RNA)
where:
Base-Base interactions energy: -186.046
where: short stacking energy: -93.265
Base-Backbone interact. energy: -0.913
local terms energy: -146.353551
where:
bonds (distance) C4'-P energy: -38.183
bonds (distance) P-C4' energy: -42.639
flat angles C4'-P-C4' energy: -34.892
flat angles P-C4'-P energy: -19.131
tors. eta vs tors. theta energy: -11.509
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: 3
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -186.597786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.597786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.597786 (E_RNA)
where:
Base-Base interactions energy: -74.477
where: short stacking energy: -69.806
Base-Backbone interact. energy: -0.943
local terms energy: -111.177741
where:
bonds (distance) C4'-P energy: -35.255
bonds (distance) P-C4' energy: -35.791
flat angles C4'-P-C4' energy: -26.874
flat angles P-C4'-P energy: -13.448
tors. eta vs tors. theta energy: 0.191
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: 422
Temperature: 1.300000
Total energy: -184.322022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.322022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.322022 (E_RNA)
where:
Base-Base interactions energy: -67.885
where: short stacking energy: -61.123
Base-Backbone interact. energy: 0.653
local terms energy: -117.090166
where:
bonds (distance) C4'-P energy: -23.551
bonds (distance) P-C4' energy: -36.354
flat angles C4'-P-C4' energy: -29.954
flat angles P-C4'-P energy: -25.917
tors. eta vs tors. theta energy: -1.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -173.502308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.502308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.502308 (E_RNA)
where:
Base-Base interactions energy: -63.696
where: short stacking energy: -55.313
Base-Backbone interact. energy: -0.693
local terms energy: -109.112897
where:
bonds (distance) C4'-P energy: -33.215
bonds (distance) P-C4' energy: -29.869
flat angles C4'-P-C4' energy: -22.027
flat angles P-C4'-P energy: -26.845
tors. eta vs tors. theta energy: 2.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -671.872612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.872612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.872612 (E_RNA)
where:
Base-Base interactions energy: -452.465
where: short stacking energy: -209.274
Base-Backbone interact. energy: -0.547
local terms energy: -218.860273
where:
bonds (distance) C4'-P energy: -38.965
bonds (distance) P-C4' energy: -37.539
flat angles C4'-P-C4' energy: -44.501
flat angles P-C4'-P energy: -34.907
tors. eta vs tors. theta energy: -62.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -639.147488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.147488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.147488 (E_RNA)
where:
Base-Base interactions energy: -437.097
where: short stacking energy: -187.995
Base-Backbone interact. energy: -0.721
local terms energy: -201.330146
where:
bonds (distance) C4'-P energy: -38.703
bonds (distance) P-C4' energy: -42.717
flat angles C4'-P-C4' energy: -42.362
flat angles P-C4'-P energy: -25.645
tors. eta vs tors. theta energy: -51.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -596.521403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.521403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.521403 (E_RNA)
where:
Base-Base interactions energy: -381.464
where: short stacking energy: -186.681
Base-Backbone interact. energy: -0.018
local terms energy: -215.039805
where:
bonds (distance) C4'-P energy: -35.455
bonds (distance) P-C4' energy: -41.333
flat angles C4'-P-C4' energy: -46.997
flat angles P-C4'-P energy: -30.906
tors. eta vs tors. theta energy: -60.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -591.496030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.496030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.496030 (E_RNA)
where:
Base-Base interactions energy: -389.866
where: short stacking energy: -175.104
Base-Backbone interact. energy: -0.176
local terms energy: -201.453931
where:
bonds (distance) C4'-P energy: -46.534
bonds (distance) P-C4' energy: -38.723
flat angles C4'-P-C4' energy: -36.429
flat angles P-C4'-P energy: -29.101
tors. eta vs tors. theta energy: -50.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -567.118042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.118042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.118042 (E_RNA)
where:
Base-Base interactions energy: -391.775
where: short stacking energy: -173.836
Base-Backbone interact. energy: -0.206
local terms energy: -175.137169
where:
bonds (distance) C4'-P energy: -33.334
bonds (distance) P-C4' energy: -40.560
flat angles C4'-P-C4' energy: -30.106
flat angles P-C4'-P energy: -19.082
tors. eta vs tors. theta energy: -52.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -474.856339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.856339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.856339 (E_RNA)
where:
Base-Base interactions energy: -317.711
where: short stacking energy: -124.458
Base-Backbone interact. energy: -0.276
local terms energy: -156.869651
where:
bonds (distance) C4'-P energy: -35.781
bonds (distance) P-C4' energy: -30.844
flat angles C4'-P-C4' energy: -33.805
flat angles P-C4'-P energy: -30.499
tors. eta vs tors. theta energy: -25.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -311.266361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.266361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.266361 (E_RNA)
where:
Base-Base interactions energy: -176.348
where: short stacking energy: -90.703
Base-Backbone interact. energy: -0.832
local terms energy: -134.085797
where:
bonds (distance) C4'-P energy: -35.464
bonds (distance) P-C4' energy: -29.450
flat angles C4'-P-C4' energy: -37.415
flat angles P-C4'-P energy: -20.771
tors. eta vs tors. theta energy: -10.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -186.312468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.312468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.312468 (E_RNA)
where:
Base-Base interactions energy: -68.137
where: short stacking energy: -57.320
Base-Backbone interact. energy: -0.836
local terms energy: -117.339289
where:
bonds (distance) C4'-P energy: -35.436
bonds (distance) P-C4' energy: -43.729
flat angles C4'-P-C4' energy: -19.893
flat angles P-C4'-P energy: -20.780
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: 9, replica: 3
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -192.448557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.448557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.448557 (E_RNA)
where:
Base-Base interactions energy: -64.663
where: short stacking energy: -60.726
Base-Backbone interact. energy: -0.757
local terms energy: -127.028173
where:
bonds (distance) C4'-P energy: -31.817
bonds (distance) P-C4' energy: -38.632
flat angles C4'-P-C4' energy: -34.067
flat angles P-C4'-P energy: -19.030
tors. eta vs tors. theta energy: -3.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -179.708646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.708646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.708646 (E_RNA)
where:
Base-Base interactions energy: -65.479
where: short stacking energy: -44.887
Base-Backbone interact. energy: -0.881
local terms energy: -113.348697
where:
bonds (distance) C4'-P energy: -32.755
bonds (distance) P-C4' energy: -46.885
flat angles C4'-P-C4' energy: -25.519
flat angles P-C4'-P energy: -18.861
tors. eta vs tors. theta energy: 10.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -664.257766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.257766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.257766 (E_RNA)
where:
Base-Base interactions energy: -436.506
where: short stacking energy: -202.455
Base-Backbone interact. energy: -0.110
local terms energy: -227.640988
where:
bonds (distance) C4'-P energy: -42.572
bonds (distance) P-C4' energy: -42.900
flat angles C4'-P-C4' energy: -44.222
flat angles P-C4'-P energy: -32.125
tors. eta vs tors. theta energy: -65.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -639.191228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.191228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.191228 (E_RNA)
where:
Base-Base interactions energy: -431.826
where: short stacking energy: -196.967
Base-Backbone interact. energy: -0.235
local terms energy: -207.130248
where:
bonds (distance) C4'-P energy: -35.455
bonds (distance) P-C4' energy: -41.670
flat angles C4'-P-C4' energy: -47.195
flat angles P-C4'-P energy: -30.416
tors. eta vs tors. theta energy: -52.395
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: 8
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -589.797276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.797276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.797276 (E_RNA)
where:
Base-Base interactions energy: -389.095
where: short stacking energy: -183.856
Base-Backbone interact. energy: -0.022
local terms energy: -200.680965
where:
bonds (distance) C4'-P energy: -38.491
bonds (distance) P-C4' energy: -41.453
flat angles C4'-P-C4' energy: -44.319
flat angles P-C4'-P energy: -19.680
tors. eta vs tors. theta energy: -56.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -564.187793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.187793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.187793 (E_RNA)
where:
Base-Base interactions energy: -373.802
where: short stacking energy: -182.508
Base-Backbone interact. energy: -0.209
local terms energy: -190.176064
where:
bonds (distance) C4'-P energy: -27.374
bonds (distance) P-C4' energy: -32.460
flat angles C4'-P-C4' energy: -47.258
flat angles P-C4'-P energy: -32.001
tors. eta vs tors. theta energy: -51.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -565.073069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.073069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.073069 (E_RNA)
where:
Base-Base interactions energy: -360.419
where: short stacking energy: -189.957
Base-Backbone interact. energy: -0.443
local terms energy: -204.211196
where:
bonds (distance) C4'-P energy: -36.222
bonds (distance) P-C4' energy: -44.421
flat angles C4'-P-C4' energy: -41.242
flat angles P-C4'-P energy: -22.164
tors. eta vs tors. theta energy: -60.163
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: 424
Temperature: 1.150000
Total energy: -503.490541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.490541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.490541 (E_RNA)
where:
Base-Base interactions energy: -324.021
where: short stacking energy: -134.883
Base-Backbone interact. energy: -0.141
local terms energy: -179.328935
where:
bonds (distance) C4'-P energy: -45.339
bonds (distance) P-C4' energy: -40.752
flat angles C4'-P-C4' energy: -40.413
flat angles P-C4'-P energy: -20.916
tors. eta vs tors. theta energy: -31.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -301.714504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.714504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.714504 (E_RNA)
where:
Base-Base interactions energy: -155.562
where: short stacking energy: -83.948
Base-Backbone interact. energy: 4.919
local terms energy: -151.071767
where:
bonds (distance) C4'-P energy: -39.302
bonds (distance) P-C4' energy: -39.180
flat angles C4'-P-C4' energy: -43.317
flat angles P-C4'-P energy: -24.530
tors. eta vs tors. theta energy: -4.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -200.705491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.705491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.705491 (E_RNA)
where:
Base-Base interactions energy: -66.721
where: short stacking energy: -66.264
Base-Backbone interact. energy: -0.454
local terms energy: -133.531257
where:
bonds (distance) C4'-P energy: -35.593
bonds (distance) P-C4' energy: -35.367
flat angles C4'-P-C4' energy: -33.882
flat angles P-C4'-P energy: -20.656
tors. eta vs tors. theta energy: -8.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -196.308821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.308821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.308821 (E_RNA)
where:
Base-Base interactions energy: -88.727
where: short stacking energy: -52.738
Base-Backbone interact. energy: -0.347
local terms energy: -107.234846
where:
bonds (distance) C4'-P energy: -36.440
bonds (distance) P-C4' energy: -30.225
flat angles C4'-P-C4' energy: -22.171
flat angles P-C4'-P energy: -14.169
tors. eta vs tors. theta energy: -4.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -172.911584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.911584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.911584 (E_RNA)
where:
Base-Base interactions energy: -35.331
where: short stacking energy: -33.035
Base-Backbone interact. energy: -1.285
local terms energy: -136.295447
where:
bonds (distance) C4'-P energy: -33.532
bonds (distance) P-C4' energy: -43.790
flat angles C4'-P-C4' energy: -31.499
flat angles P-C4'-P energy: -26.452
tors. eta vs tors. theta energy: -1.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -643.081269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.081269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.081269 (E_RNA)
where:
Base-Base interactions energy: -427.654
where: short stacking energy: -198.760
Base-Backbone interact. energy: -0.094
local terms energy: -215.333121
where:
bonds (distance) C4'-P energy: -42.445
bonds (distance) P-C4' energy: -35.043
flat angles C4'-P-C4' energy: -41.777
flat angles P-C4'-P energy: -32.680
tors. eta vs tors. theta energy: -63.390
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: 425
Temperature: 0.950000
Total energy: -630.998095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.998095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.998095 (E_RNA)
where:
Base-Base interactions energy: -417.303
where: short stacking energy: -175.038
Base-Backbone interact. energy: -0.404
local terms energy: -213.291822
where:
bonds (distance) C4'-P energy: -41.345
bonds (distance) P-C4' energy: -43.853
flat angles C4'-P-C4' energy: -41.134
flat angles P-C4'-P energy: -33.510
tors. eta vs tors. theta energy: -53.450
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: 8
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -593.368033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.368033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.368033 (E_RNA)
where:
Base-Base interactions energy: -387.768
where: short stacking energy: -184.044
Base-Backbone interact. energy: -0.800
local terms energy: -204.800172
where:
bonds (distance) C4'-P energy: -33.088
bonds (distance) P-C4' energy: -35.545
flat angles C4'-P-C4' energy: -42.240
flat angles P-C4'-P energy: -34.057
tors. eta vs tors. theta energy: -59.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -573.744233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.744233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.744233 (E_RNA)
where:
Base-Base interactions energy: -380.281
where: short stacking energy: -157.179
Base-Backbone interact. energy: -0.197
local terms energy: -193.266675
where:
bonds (distance) C4'-P energy: -40.198
bonds (distance) P-C4' energy: -40.391
flat angles C4'-P-C4' energy: -36.312
flat angles P-C4'-P energy: -28.457
tors. eta vs tors. theta energy: -47.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -555.006951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.006951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.006951 (E_RNA)
where:
Base-Base interactions energy: -371.669
where: short stacking energy: -171.384
Base-Backbone interact. energy: -0.341
local terms energy: -182.997066
where:
bonds (distance) C4'-P energy: -36.455
bonds (distance) P-C4' energy: -35.913
flat angles C4'-P-C4' energy: -40.068
flat angles P-C4'-P energy: -19.411
tors. eta vs tors. theta energy: -51.151
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: 1
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -499.197109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.197109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.197109 (E_RNA)
where:
Base-Base interactions energy: -314.672
where: short stacking energy: -150.420
Base-Backbone interact. energy: -0.087
local terms energy: -184.437224
where:
bonds (distance) C4'-P energy: -33.789
bonds (distance) P-C4' energy: -36.194
flat angles C4'-P-C4' energy: -42.507
flat angles P-C4'-P energy: -24.309
tors. eta vs tors. theta energy: -47.639
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: 425
Temperature: 1.200000
Total energy: -368.654294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.654294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.654294 (E_RNA)
where:
Base-Base interactions energy: -229.927
where: short stacking energy: -119.722
Base-Backbone interact. energy: 1.446
local terms energy: -140.172686
where:
bonds (distance) C4'-P energy: -28.915
bonds (distance) P-C4' energy: -34.966
flat angles C4'-P-C4' energy: -38.717
flat angles P-C4'-P energy: -19.366
tors. eta vs tors. theta energy: -18.209
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: 10
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -216.478135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.478135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.478135 (E_RNA)
where:
Base-Base interactions energy: -87.737
where: short stacking energy: -55.917
Base-Backbone interact. energy: 2.221
local terms energy: -130.961871
where:
bonds (distance) C4'-P energy: -31.720
bonds (distance) P-C4' energy: -43.793
flat angles C4'-P-C4' energy: -30.348
flat angles P-C4'-P energy: -21.044
tors. eta vs tors. theta energy: -4.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -181.150772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.150772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.150772 (E_RNA)
where:
Base-Base interactions energy: -64.450
where: short stacking energy: -62.426
Base-Backbone interact. energy: -0.673
local terms energy: -116.028203
where:
bonds (distance) C4'-P energy: -29.484
bonds (distance) P-C4' energy: -31.494
flat angles C4'-P-C4' energy: -26.298
flat angles P-C4'-P energy: -24.754
tors. eta vs tors. theta energy: -3.997
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: 3
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -182.150559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.150559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.150559 (E_RNA)
where:
Base-Base interactions energy: -72.098
where: short stacking energy: -50.256
Base-Backbone interact. energy: 1.941
local terms energy: -111.993110
where:
bonds (distance) C4'-P energy: -36.017
bonds (distance) P-C4' energy: -37.921
flat angles C4'-P-C4' energy: -38.754
flat angles P-C4'-P energy: -4.625
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: 4
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -652.059502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.059502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.059502 (E_RNA)
where:
Base-Base interactions energy: -433.985
where: short stacking energy: -210.965
Base-Backbone interact. energy: -0.332
local terms energy: -217.742705
where:
bonds (distance) C4'-P energy: -40.543
bonds (distance) P-C4' energy: -41.135
flat angles C4'-P-C4' energy: -42.752
flat angles P-C4'-P energy: -30.755
tors. eta vs tors. theta energy: -62.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -639.963253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.963253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.963253 (E_RNA)
where:
Base-Base interactions energy: -435.300
where: short stacking energy: -178.708
Base-Backbone interact. energy: -0.494
local terms energy: -204.169758
where:
bonds (distance) C4'-P energy: -41.413
bonds (distance) P-C4' energy: -39.312
flat angles C4'-P-C4' energy: -41.713
flat angles P-C4'-P energy: -27.394
tors. eta vs tors. theta energy: -54.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -604.316181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.316181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.316181 (E_RNA)
where:
Base-Base interactions energy: -392.368
where: short stacking energy: -197.516
Base-Backbone interact. energy: -0.050
local terms energy: -211.898143
where:
bonds (distance) C4'-P energy: -41.839
bonds (distance) P-C4' energy: -34.974
flat angles C4'-P-C4' energy: -39.241
flat angles P-C4'-P energy: -32.718
tors. eta vs tors. theta energy: -63.127
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: 426
Temperature: 1.050000
Total energy: -560.149863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.149863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.149863 (E_RNA)
where:
Base-Base interactions energy: -360.527
where: short stacking energy: -177.558
Base-Backbone interact. energy: 0.869
local terms energy: -200.491325
where:
bonds (distance) C4'-P energy: -33.223
bonds (distance) P-C4' energy: -37.892
flat angles C4'-P-C4' energy: -41.235
flat angles P-C4'-P energy: -31.020
tors. eta vs tors. theta energy: -57.122
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: 9
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -550.458516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.458516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.458516 (E_RNA)
where:
Base-Base interactions energy: -372.572
where: short stacking energy: -164.223
Base-Backbone interact. energy: -0.894
local terms energy: -176.992180
where:
bonds (distance) C4'-P energy: -31.466
bonds (distance) P-C4' energy: -36.266
flat angles C4'-P-C4' energy: -35.779
flat angles P-C4'-P energy: -26.230
tors. eta vs tors. theta energy: -47.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -519.510352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.510352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.510352 (E_RNA)
where:
Base-Base interactions energy: -345.543
where: short stacking energy: -156.639
Base-Backbone interact. energy: -0.463
local terms energy: -173.504696
where:
bonds (distance) C4'-P energy: -41.377
bonds (distance) P-C4' energy: -37.560
flat angles C4'-P-C4' energy: -33.830
flat angles P-C4'-P energy: -18.581
tors. eta vs tors. theta energy: -42.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -347.549063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.549063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.549063 (E_RNA)
where:
Base-Base interactions energy: -201.044
where: short stacking energy: -92.528
Base-Backbone interact. energy: -0.601
local terms energy: -145.904115
where:
bonds (distance) C4'-P energy: -36.847
bonds (distance) P-C4' energy: -41.772
flat angles C4'-P-C4' energy: -33.658
flat angles P-C4'-P energy: -20.026
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: 8, replica: 10
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -185.829369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.829369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.829369 (E_RNA)
where:
Base-Base interactions energy: -62.586
where: short stacking energy: -49.530
Base-Backbone interact. energy: -0.648
local terms energy: -122.594629
where:
bonds (distance) C4'-P energy: -43.063
bonds (distance) P-C4' energy: -31.164
flat angles C4'-P-C4' energy: -32.588
flat angles P-C4'-P energy: -21.887
tors. eta vs tors. theta energy: 6.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -177.552018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.552018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.552018 (E_RNA)
where:
Base-Base interactions energy: -62.300
where: short stacking energy: -49.490
Base-Backbone interact. energy: -1.548
local terms energy: -113.703690
where:
bonds (distance) C4'-P energy: -30.175
bonds (distance) P-C4' energy: -30.574
flat angles C4'-P-C4' energy: -28.907
flat angles P-C4'-P energy: -21.663
tors. eta vs tors. theta energy: -2.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -176.993772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.993772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.993772 (E_RNA)
where:
Base-Base interactions energy: -54.154
where: short stacking energy: -48.971
Base-Backbone interact. energy: 0.819
local terms energy: -123.658771
where:
bonds (distance) C4'-P energy: -43.390
bonds (distance) P-C4' energy: -42.925
flat angles C4'-P-C4' energy: -14.860
flat angles P-C4'-P energy: -21.060
tors. eta vs tors. theta energy: -1.423
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: 1, replica: 4
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -662.058171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.058171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.058171 (E_RNA)
where:
Base-Base interactions energy: -432.776
where: short stacking energy: -215.420
Base-Backbone interact. energy: -0.920
local terms energy: -228.362794
where:
bonds (distance) C4'-P energy: -42.818
bonds (distance) P-C4' energy: -43.439
flat angles C4'-P-C4' energy: -41.664
flat angles P-C4'-P energy: -34.989
tors. eta vs tors. theta energy: -65.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -628.537931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.537931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.537931 (E_RNA)
where:
Base-Base interactions energy: -423.258
where: short stacking energy: -166.962
Base-Backbone interact. energy: -0.848
local terms energy: -204.432310
where:
bonds (distance) C4'-P energy: -36.426
bonds (distance) P-C4' energy: -37.163
flat angles C4'-P-C4' energy: -45.816
flat angles P-C4'-P energy: -29.859
tors. eta vs tors. theta energy: -55.169
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: 3, replica: 8
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -594.748250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.748250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.748250 (E_RNA)
where:
Base-Base interactions energy: -398.146
where: short stacking energy: -187.686
Base-Backbone interact. energy: -0.020
local terms energy: -196.582504
where:
bonds (distance) C4'-P energy: -31.832
bonds (distance) P-C4' energy: -41.412
flat angles C4'-P-C4' energy: -47.066
flat angles P-C4'-P energy: -25.710
tors. eta vs tors. theta energy: -50.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -578.052927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.052927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.052927 (E_RNA)
where:
Base-Base interactions energy: -390.644
where: short stacking energy: -190.420
Base-Backbone interact. energy: -0.435
local terms energy: -186.974069
where:
bonds (distance) C4'-P energy: -36.578
bonds (distance) P-C4' energy: -32.989
flat angles C4'-P-C4' energy: -38.211
flat angles P-C4'-P energy: -27.753
tors. eta vs tors. theta energy: -51.443
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: 5, replica: 9
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -561.222986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.222986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.222986 (E_RNA)
where:
Base-Base interactions energy: -364.201
where: short stacking energy: -164.540
Base-Backbone interact. energy: -0.906
local terms energy: -196.115742
where:
bonds (distance) C4'-P energy: -37.099
bonds (distance) P-C4' energy: -35.608
flat angles C4'-P-C4' energy: -41.061
flat angles P-C4'-P energy: -27.689
tors. eta vs tors. theta energy: -54.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -519.965250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.965250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.965250 (E_RNA)
where:
Base-Base interactions energy: -347.281
where: short stacking energy: -147.661
Base-Backbone interact. energy: -1.151
local terms energy: -171.533114
where:
bonds (distance) C4'-P energy: -35.597
bonds (distance) P-C4' energy: -26.550
flat angles C4'-P-C4' energy: -38.007
flat angles P-C4'-P energy: -24.641
tors. eta vs tors. theta energy: -46.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -403.984517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.984517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.984517 (E_RNA)
where:
Base-Base interactions energy: -246.449
where: short stacking energy: -111.689
Base-Backbone interact. energy: -0.415
local terms energy: -157.120130
where:
bonds (distance) C4'-P energy: -34.472
bonds (distance) P-C4' energy: -39.600
flat angles C4'-P-C4' energy: -40.093
flat angles P-C4'-P energy: -19.624
tors. eta vs tors. theta energy: -23.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -194.709671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.709671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.709671 (E_RNA)
where:
Base-Base interactions energy: -62.809
where: short stacking energy: -59.468
Base-Backbone interact. energy: 1.235
local terms energy: -133.136070
where:
bonds (distance) C4'-P energy: -38.813
bonds (distance) P-C4' energy: -37.214
flat angles C4'-P-C4' energy: -24.729
flat angles P-C4'-P energy: -28.908
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: 10
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -182.809000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.809000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.809000 (E_RNA)
where:
Base-Base interactions energy: -55.458
where: short stacking energy: -53.283
Base-Backbone interact. energy: 3.393
local terms energy: -130.744323
where:
bonds (distance) C4'-P energy: -34.300
bonds (distance) P-C4' energy: -36.748
flat angles C4'-P-C4' energy: -26.656
flat angles P-C4'-P energy: -27.614
tors. eta vs tors. theta energy: -5.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -158.604327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.604327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.604327 (E_RNA)
where:
Base-Base interactions energy: -45.577
where: short stacking energy: -40.239
Base-Backbone interact. energy: -1.334
local terms energy: -111.692463
where:
bonds (distance) C4'-P energy: -34.095
bonds (distance) P-C4' energy: -38.291
flat angles C4'-P-C4' energy: -24.468
flat angles P-C4'-P energy: -21.506
tors. eta vs tors. theta energy: 6.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -665.088647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.088647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.088647 (E_RNA)
where:
Base-Base interactions energy: -446.247
where: short stacking energy: -210.309
Base-Backbone interact. energy: -0.727
local terms energy: -218.114628
where:
bonds (distance) C4'-P energy: -36.375
bonds (distance) P-C4' energy: -43.798
flat angles C4'-P-C4' energy: -43.652
flat angles P-C4'-P energy: -38.210
tors. eta vs tors. theta energy: -56.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -643.580600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.580600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.580600 (E_RNA)
where:
Base-Base interactions energy: -449.341
where: short stacking energy: -176.322
Base-Backbone interact. energy: -0.550
local terms energy: -193.689423
where:
bonds (distance) C4'-P energy: -30.545
bonds (distance) P-C4' energy: -39.525
flat angles C4'-P-C4' energy: -40.366
flat angles P-C4'-P energy: -32.559
tors. eta vs tors. theta energy: -50.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -587.866389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.866389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.866389 (E_RNA)
where:
Base-Base interactions energy: -383.130
where: short stacking energy: -191.923
Base-Backbone interact. energy: -0.598
local terms energy: -204.138262
where:
bonds (distance) C4'-P energy: -32.173
bonds (distance) P-C4' energy: -42.661
flat angles C4'-P-C4' energy: -46.777
flat angles P-C4'-P energy: -30.498
tors. eta vs tors. theta energy: -52.029
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: 8
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -585.714312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.714312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.714312 (E_RNA)
where:
Base-Base interactions energy: -378.100
where: short stacking energy: -182.230
Base-Backbone interact. energy: -0.351
local terms energy: -207.262603
where:
bonds (distance) C4'-P energy: -40.644
bonds (distance) P-C4' energy: -36.140
flat angles C4'-P-C4' energy: -41.351
flat angles P-C4'-P energy: -33.647
tors. eta vs tors. theta energy: -55.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -552.754432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.754432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.754432 (E_RNA)
where:
Base-Base interactions energy: -368.847
where: short stacking energy: -178.558
Base-Backbone interact. energy: 1.270
local terms energy: -185.177033
where:
bonds (distance) C4'-P energy: -38.749
bonds (distance) P-C4' energy: -28.716
flat angles C4'-P-C4' energy: -40.481
flat angles P-C4'-P energy: -24.869
tors. eta vs tors. theta energy: -52.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -505.928836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.928836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.928836 (E_RNA)
where:
Base-Base interactions energy: -339.453
where: short stacking energy: -140.091
Base-Backbone interact. energy: 2.347
local terms energy: -168.822625
where:
bonds (distance) C4'-P energy: -37.219
bonds (distance) P-C4' energy: -34.895
flat angles C4'-P-C4' energy: -37.590
flat angles P-C4'-P energy: -19.341
tors. eta vs tors. theta energy: -39.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -346.400999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.400999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.400999 (E_RNA)
where:
Base-Base interactions energy: -204.908
where: short stacking energy: -98.886
Base-Backbone interact. energy: 1.837
local terms energy: -143.329945
where:
bonds (distance) C4'-P energy: -32.056
bonds (distance) P-C4' energy: -31.979
flat angles C4'-P-C4' energy: -34.378
flat angles P-C4'-P energy: -26.463
tors. eta vs tors. theta energy: -18.455
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: 5
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -232.215383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.215383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.215383 (E_RNA)
where:
Base-Base interactions energy: -96.492
where: short stacking energy: -50.890
Base-Backbone interact. energy: 5.231
local terms energy: -140.954219
where:
bonds (distance) C4'-P energy: -38.449
bonds (distance) P-C4' energy: -36.675
flat angles C4'-P-C4' energy: -35.592
flat angles P-C4'-P energy: -23.461
tors. eta vs tors. theta energy: -6.776
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: 10
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -183.338954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.338954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.338954 (E_RNA)
where:
Base-Base interactions energy: -66.382
where: short stacking energy: -64.646
Base-Backbone interact. energy: -0.039
local terms energy: -116.918831
where:
bonds (distance) C4'-P energy: -31.279
bonds (distance) P-C4' energy: -34.801
flat angles C4'-P-C4' energy: -26.760
flat angles P-C4'-P energy: -15.632
tors. eta vs tors. theta energy: -8.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -163.134738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.134738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.134738 (E_RNA)
where:
Base-Base interactions energy: -64.037
where: short stacking energy: -44.106
Base-Backbone interact. energy: -1.208
local terms energy: -97.889258
where:
bonds (distance) C4'-P energy: -30.982
bonds (distance) P-C4' energy: -31.278
flat angles C4'-P-C4' energy: -18.932
flat angles P-C4'-P energy: -26.591
tors. eta vs tors. theta energy: 9.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -676.354062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.354062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.354062 (E_RNA)
where:
Base-Base interactions energy: -454.253
where: short stacking energy: -208.401
Base-Backbone interact. energy: -0.455
local terms energy: -221.645979
where:
bonds (distance) C4'-P energy: -46.227
bonds (distance) P-C4' energy: -39.055
flat angles C4'-P-C4' energy: -50.348
flat angles P-C4'-P energy: -26.746
tors. eta vs tors. theta energy: -59.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -649.338244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.338244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.338244 (E_RNA)
where:
Base-Base interactions energy: -437.780
where: short stacking energy: -190.610
Base-Backbone interact. energy: -1.297
local terms energy: -210.261776
where:
bonds (distance) C4'-P energy: -34.586
bonds (distance) P-C4' energy: -38.726
flat angles C4'-P-C4' energy: -47.426
flat angles P-C4'-P energy: -27.477
tors. eta vs tors. theta energy: -62.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -602.931370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.931370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.931370 (E_RNA)
where:
Base-Base interactions energy: -386.234
where: short stacking energy: -185.849
Base-Backbone interact. energy: -0.069
local terms energy: -216.628376
where:
bonds (distance) C4'-P energy: -39.591
bonds (distance) P-C4' energy: -41.498
flat angles C4'-P-C4' energy: -41.893
flat angles P-C4'-P energy: -38.090
tors. eta vs tors. theta energy: -55.556
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: 4, replica: 8
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -585.804453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.804453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.804453 (E_RNA)
where:
Base-Base interactions energy: -376.727
where: short stacking energy: -187.853
Base-Backbone interact. energy: -0.087
local terms energy: -208.991110
where:
bonds (distance) C4'-P energy: -37.741
bonds (distance) P-C4' energy: -38.904
flat angles C4'-P-C4' energy: -48.504
flat angles P-C4'-P energy: -32.238
tors. eta vs tors. theta energy: -51.605
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: 9
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -592.377255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.377255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.377255 (E_RNA)
where:
Base-Base interactions energy: -390.276
where: short stacking energy: -190.233
Base-Backbone interact. energy: -0.579
local terms energy: -201.522201
where:
bonds (distance) C4'-P energy: -32.279
bonds (distance) P-C4' energy: -37.428
flat angles C4'-P-C4' energy: -42.047
flat angles P-C4'-P energy: -32.449
tors. eta vs tors. theta energy: -57.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -546.550547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.550547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.550547 (E_RNA)
where:
Base-Base interactions energy: -358.165
where: short stacking energy: -148.260
Base-Backbone interact. energy: -0.819
local terms energy: -187.566894
where:
bonds (distance) C4'-P energy: -37.960
bonds (distance) P-C4' energy: -37.088
flat angles C4'-P-C4' energy: -38.307
flat angles P-C4'-P energy: -29.290
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: 7, replica: 6
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -380.537209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.537209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.537209 (E_RNA)
where:
Base-Base interactions energy: -236.093
where: short stacking energy: -110.819
Base-Backbone interact. energy: 0.246
local terms energy: -144.689696
where:
bonds (distance) C4'-P energy: -30.112
bonds (distance) P-C4' energy: -27.305
flat angles C4'-P-C4' energy: -35.334
flat angles P-C4'-P energy: -28.001
tors. eta vs tors. theta energy: -23.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -246.295819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.295819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.295819 (E_RNA)
where:
Base-Base interactions energy: -103.367
where: short stacking energy: -70.846
Base-Backbone interact. energy: 2.004
local terms energy: -144.932775
where:
bonds (distance) C4'-P energy: -32.131
bonds (distance) P-C4' energy: -38.035
flat angles C4'-P-C4' energy: -33.615
flat angles P-C4'-P energy: -26.562
tors. eta vs tors. theta energy: -14.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -176.868718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.868718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.868718 (E_RNA)
where:
Base-Base interactions energy: -72.141
where: short stacking energy: -39.145
Base-Backbone interact. energy: 0.288
local terms energy: -105.015194
where:
bonds (distance) C4'-P energy: -27.367
bonds (distance) P-C4' energy: -42.074
flat angles C4'-P-C4' energy: -20.843
flat angles P-C4'-P energy: -14.683
tors. eta vs tors. theta energy: -0.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -172.175330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.175330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.175330 (E_RNA)
where:
Base-Base interactions energy: -52.151
where: short stacking energy: -47.945
Base-Backbone interact. energy: 1.316
local terms energy: -121.340470
where:
bonds (distance) C4'-P energy: -33.515
bonds (distance) P-C4' energy: -43.333
flat angles C4'-P-C4' energy: -20.281
flat angles P-C4'-P energy: -15.854
tors. eta vs tors. theta energy: -8.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -657.093864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.093864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.093864 (E_RNA)
where:
Base-Base interactions energy: -450.979
where: short stacking energy: -197.024
Base-Backbone interact. energy: -0.009
local terms energy: -206.105397
where:
bonds (distance) C4'-P energy: -35.563
bonds (distance) P-C4' energy: -39.101
flat angles C4'-P-C4' energy: -44.600
flat angles P-C4'-P energy: -26.114
tors. eta vs tors. theta energy: -60.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -649.939648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.939648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.939648 (E_RNA)
where:
Base-Base interactions energy: -435.854
where: short stacking energy: -197.654
Base-Backbone interact. energy: -1.372
local terms energy: -212.713523
where:
bonds (distance) C4'-P energy: -35.533
bonds (distance) P-C4' energy: -29.753
flat angles C4'-P-C4' energy: -48.611
flat angles P-C4'-P energy: -35.186
tors. eta vs tors. theta energy: -63.631
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: 8
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -602.811706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.811706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.811706 (E_RNA)
where:
Base-Base interactions energy: -391.235
where: short stacking energy: -184.962
Base-Backbone interact. energy: -0.631
local terms energy: -210.946042
where:
bonds (distance) C4'-P energy: -40.258
bonds (distance) P-C4' energy: -44.432
flat angles C4'-P-C4' energy: -39.486
flat angles P-C4'-P energy: -27.089
tors. eta vs tors. theta energy: -59.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -571.761037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.761037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.761037 (E_RNA)
where:
Base-Base interactions energy: -377.659
where: short stacking energy: -186.102
Base-Backbone interact. energy: -0.653
local terms energy: -193.448835
where:
bonds (distance) C4'-P energy: -30.886
bonds (distance) P-C4' energy: -35.024
flat angles C4'-P-C4' energy: -42.219
flat angles P-C4'-P energy: -25.089
tors. eta vs tors. theta energy: -60.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -569.314597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.314597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.314597 (E_RNA)
where:
Base-Base interactions energy: -373.689
where: short stacking energy: -178.107
Base-Backbone interact. energy: -0.419
local terms energy: -195.206632
where:
bonds (distance) C4'-P energy: -29.757
bonds (distance) P-C4' energy: -42.466
flat angles C4'-P-C4' energy: -43.908
flat angles P-C4'-P energy: -23.695
tors. eta vs tors. theta energy: -55.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -506.061747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.061747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.061747 (E_RNA)
where:
Base-Base interactions energy: -335.333
where: short stacking energy: -153.090
Base-Backbone interact. energy: -1.225
local terms energy: -169.503909
where:
bonds (distance) C4'-P energy: -36.679
bonds (distance) P-C4' energy: -25.051
flat angles C4'-P-C4' energy: -35.324
flat angles P-C4'-P energy: -26.622
tors. eta vs tors. theta energy: -45.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -409.091983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.091983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.091983 (E_RNA)
where:
Base-Base interactions energy: -272.920
where: short stacking energy: -135.916
Base-Backbone interact. energy: -1.573
local terms energy: -134.598883
where:
bonds (distance) C4'-P energy: -31.341
bonds (distance) P-C4' energy: -29.399
flat angles C4'-P-C4' energy: -37.703
flat angles P-C4'-P energy: -11.023
tors. eta vs tors. theta energy: -25.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -254.365593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.365593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.365593 (E_RNA)
where:
Base-Base interactions energy: -130.084
where: short stacking energy: -66.153
Base-Backbone interact. energy: -2.065
local terms energy: -122.216434
where:
bonds (distance) C4'-P energy: -32.039
bonds (distance) P-C4' energy: -33.519
flat angles C4'-P-C4' energy: -34.258
flat angles P-C4'-P energy: -18.780
tors. eta vs tors. theta energy: -3.620
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: 9, replica: 3
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -169.482277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.482277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.482277 (E_RNA)
where:
Base-Base interactions energy: -59.153
where: short stacking energy: -46.496
Base-Backbone interact. energy: 0.437
local terms energy: -110.766225
where:
bonds (distance) C4'-P energy: -35.659
bonds (distance) P-C4' energy: -42.161
flat angles C4'-P-C4' energy: -24.472
flat angles P-C4'-P energy: -10.348
tors. eta vs tors. theta energy: 1.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -189.538306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.538306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.538306 (E_RNA)
where:
Base-Base interactions energy: -70.320
where: short stacking energy: -59.854
Base-Backbone interact. energy: -0.554
local terms energy: -118.664443
where:
bonds (distance) C4'-P energy: -38.763
bonds (distance) P-C4' energy: -24.494
flat angles C4'-P-C4' energy: -32.374
flat angles P-C4'-P energy: -20.879
tors. eta vs tors. theta energy: -2.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -673.009834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.009834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.009834 (E_RNA)
where:
Base-Base interactions energy: -450.144
where: short stacking energy: -196.116
Base-Backbone interact. energy: -0.802
local terms energy: -222.063914
where:
bonds (distance) C4'-P energy: -38.778
bonds (distance) P-C4' energy: -40.159
flat angles C4'-P-C4' energy: -47.354
flat angles P-C4'-P energy: -30.869
tors. eta vs tors. theta energy: -64.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -653.070646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.070646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.070646 (E_RNA)
where:
Base-Base interactions energy: -426.154
where: short stacking energy: -203.427
Base-Backbone interact. energy: 1.489
local terms energy: -228.405373
where:
bonds (distance) C4'-P energy: -46.462
bonds (distance) P-C4' energy: -38.847
flat angles C4'-P-C4' energy: -44.882
flat angles P-C4'-P energy: -34.188
tors. eta vs tors. theta energy: -64.026
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: 8
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -604.127952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.127952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.127952 (E_RNA)
where:
Base-Base interactions energy: -386.026
where: short stacking energy: -185.283
Base-Backbone interact. energy: 1.314
local terms energy: -219.415408
where:
bonds (distance) C4'-P energy: -36.016
bonds (distance) P-C4' energy: -40.869
flat angles C4'-P-C4' energy: -45.074
flat angles P-C4'-P energy: -36.837
tors. eta vs tors. theta energy: -60.620
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: 9
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -569.507768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.507768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.507768 (E_RNA)
where:
Base-Base interactions energy: -371.884
where: short stacking energy: -186.453
Base-Backbone interact. energy: -0.634
local terms energy: -196.989389
where:
bonds (distance) C4'-P energy: -38.931
bonds (distance) P-C4' energy: -31.507
flat angles C4'-P-C4' energy: -42.599
flat angles P-C4'-P energy: -24.592
tors. eta vs tors. theta energy: -59.360
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: 7
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -561.243802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.243802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.243802 (E_RNA)
where:
Base-Base interactions energy: -371.651
where: short stacking energy: -164.839
Base-Backbone interact. energy: -0.074
local terms energy: -189.518062
where:
bonds (distance) C4'-P energy: -32.032
bonds (distance) P-C4' energy: -38.755
flat angles C4'-P-C4' energy: -41.488
flat angles P-C4'-P energy: -29.090
tors. eta vs tors. theta energy: -48.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -520.250647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.250647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.250647 (E_RNA)
where:
Base-Base interactions energy: -343.821
where: short stacking energy: -142.485
Base-Backbone interact. energy: 1.844
local terms energy: -178.273596
where:
bonds (distance) C4'-P energy: -36.486
bonds (distance) P-C4' energy: -30.282
flat angles C4'-P-C4' energy: -46.202
flat angles P-C4'-P energy: -28.796
tors. eta vs tors. theta energy: -36.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -440.215076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.215076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.215076 (E_RNA)
where:
Base-Base interactions energy: -272.362
where: short stacking energy: -117.282
Base-Backbone interact. energy: -1.148
local terms energy: -166.704619
where:
bonds (distance) C4'-P energy: -29.465
bonds (distance) P-C4' energy: -44.856
flat angles C4'-P-C4' energy: -37.793
flat angles P-C4'-P energy: -24.973
tors. eta vs tors. theta energy: -29.617
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: 5
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -201.499131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.499131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.499131 (E_RNA)
where:
Base-Base interactions energy: -83.252
where: short stacking energy: -62.404
Base-Backbone interact. energy: 0.093
local terms energy: -118.340344
where:
bonds (distance) C4'-P energy: -37.505
bonds (distance) P-C4' energy: -29.478
flat angles C4'-P-C4' energy: -32.911
flat angles P-C4'-P energy: -16.613
tors. eta vs tors. theta energy: -1.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -176.909689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.909689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.909689 (E_RNA)
where:
Base-Base interactions energy: -61.479
where: short stacking energy: -53.049
Base-Backbone interact. energy: -0.444
local terms energy: -114.986758
where:
bonds (distance) C4'-P energy: -33.065
bonds (distance) P-C4' energy: -43.961
flat angles C4'-P-C4' energy: -23.934
flat angles P-C4'-P energy: -11.268
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: 10
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -173.094299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.094299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.094299 (E_RNA)
where:
Base-Base interactions energy: -73.820
where: short stacking energy: -55.386
Base-Backbone interact. energy: 0.637
local terms energy: -99.911671
where:
bonds (distance) C4'-P energy: -34.955
bonds (distance) P-C4' energy: -31.205
flat angles C4'-P-C4' energy: -30.432
flat angles P-C4'-P energy: -12.291
tors. eta vs tors. theta energy: 8.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -669.486153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.486153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.486153 (E_RNA)
where:
Base-Base interactions energy: -462.738
where: short stacking energy: -195.022
Base-Backbone interact. energy: -0.088
local terms energy: -206.659957
where:
bonds (distance) C4'-P energy: -31.445
bonds (distance) P-C4' energy: -44.345
flat angles C4'-P-C4' energy: -41.638
flat angles P-C4'-P energy: -30.032
tors. eta vs tors. theta energy: -59.201
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: 4
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -652.612584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.612584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.612584 (E_RNA)
where:
Base-Base interactions energy: -444.263
where: short stacking energy: -207.549
Base-Backbone interact. energy: 0.961
local terms energy: -209.310509
where:
bonds (distance) C4'-P energy: -35.274
bonds (distance) P-C4' energy: -27.917
flat angles C4'-P-C4' energy: -46.143
flat angles P-C4'-P energy: -33.343
tors. eta vs tors. theta energy: -66.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -601.701997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.701997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.701997 (E_RNA)
where:
Base-Base interactions energy: -388.062
where: short stacking energy: -186.625
Base-Backbone interact. energy: -0.225
local terms energy: -213.415848
where:
bonds (distance) C4'-P energy: -41.204
bonds (distance) P-C4' energy: -41.982
flat angles C4'-P-C4' energy: -40.407
flat angles P-C4'-P energy: -31.271
tors. eta vs tors. theta energy: -58.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -589.014328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.014328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.014328 (E_RNA)
where:
Base-Base interactions energy: -388.405
where: short stacking energy: -182.686
Base-Backbone interact. energy: 0.985
local terms energy: -201.594289
where:
bonds (distance) C4'-P energy: -42.277
bonds (distance) P-C4' energy: -34.560
flat angles C4'-P-C4' energy: -42.283
flat angles P-C4'-P energy: -29.445
tors. eta vs tors. theta energy: -53.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -567.777337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.777337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.777337 (E_RNA)
where:
Base-Base interactions energy: -380.640
where: short stacking energy: -166.424
Base-Backbone interact. energy: 0.859
local terms energy: -187.995620
where:
bonds (distance) C4'-P energy: -29.809
bonds (distance) P-C4' energy: -38.531
flat angles C4'-P-C4' energy: -37.240
flat angles P-C4'-P energy: -31.370
tors. eta vs tors. theta energy: -51.046
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: 1
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -506.297125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.297125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.297125 (E_RNA)
where:
Base-Base interactions energy: -322.159
where: short stacking energy: -134.911
Base-Backbone interact. energy: -0.906
local terms energy: -183.231965
where:
bonds (distance) C4'-P energy: -34.812
bonds (distance) P-C4' energy: -32.145
flat angles C4'-P-C4' energy: -41.162
flat angles P-C4'-P energy: -30.049
tors. eta vs tors. theta energy: -45.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -373.652177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.652177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.652177 (E_RNA)
where:
Base-Base interactions energy: -225.155
where: short stacking energy: -106.887
Base-Backbone interact. energy: -0.651
local terms energy: -147.846036
where:
bonds (distance) C4'-P energy: -33.403
bonds (distance) P-C4' energy: -35.050
flat angles C4'-P-C4' energy: -38.887
flat angles P-C4'-P energy: -20.222
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: 5
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -187.689435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.689435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.689435 (E_RNA)
where:
Base-Base interactions energy: -73.702
where: short stacking energy: -39.525
Base-Backbone interact. energy: 0.806
local terms energy: -114.793458
where:
bonds (distance) C4'-P energy: -24.471
bonds (distance) P-C4' energy: -42.635
flat angles C4'-P-C4' energy: -28.518
flat angles P-C4'-P energy: -22.485
tors. eta vs tors. theta energy: 3.316
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: 10
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -179.229453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.229453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.229453 (E_RNA)
where:
Base-Base interactions energy: -72.259
where: short stacking energy: -40.887
Base-Backbone interact. energy: -0.418
local terms energy: -106.552509
where:
bonds (distance) C4'-P energy: -26.635
bonds (distance) P-C4' energy: -40.532
flat angles C4'-P-C4' energy: -28.209
flat angles P-C4'-P energy: -18.731
tors. eta vs tors. theta energy: 7.554
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: 3
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -187.642520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.642520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.642520 (E_RNA)
where:
Base-Base interactions energy: -65.850
where: short stacking energy: -63.404
Base-Backbone interact. energy: 1.117
local terms energy: -122.908841
where:
bonds (distance) C4'-P energy: -27.349
bonds (distance) P-C4' energy: -33.133
flat angles C4'-P-C4' energy: -35.079
flat angles P-C4'-P energy: -17.544
tors. eta vs tors. theta energy: -9.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -642.559702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.559702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.559702 (E_RNA)
where:
Base-Base interactions energy: -442.170
where: short stacking energy: -188.411
Base-Backbone interact. energy: 0.931
local terms energy: -201.320725
where:
bonds (distance) C4'-P energy: -32.626
bonds (distance) P-C4' energy: -42.455
flat angles C4'-P-C4' energy: -44.308
flat angles P-C4'-P energy: -24.452
tors. eta vs tors. theta energy: -57.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -663.587903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.587903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.587903 (E_RNA)
where:
Base-Base interactions energy: -441.875
where: short stacking energy: -189.477
Base-Backbone interact. energy: -1.343
local terms energy: -220.369780
where:
bonds (distance) C4'-P energy: -44.364
bonds (distance) P-C4' energy: -43.566
flat angles C4'-P-C4' energy: -42.677
flat angles P-C4'-P energy: -30.492
tors. eta vs tors. theta energy: -59.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -594.875566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.875566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.875566 (E_RNA)
where:
Base-Base interactions energy: -389.439
where: short stacking energy: -176.876
Base-Backbone interact. energy: -0.025
local terms energy: -205.411616
where:
bonds (distance) C4'-P energy: -35.689
bonds (distance) P-C4' energy: -38.366
flat angles C4'-P-C4' energy: -41.634
flat angles P-C4'-P energy: -27.748
tors. eta vs tors. theta energy: -61.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -591.352026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.352026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.352026 (E_RNA)
where:
Base-Base interactions energy: -398.424
where: short stacking energy: -190.952
Base-Backbone interact. energy: 0.734
local terms energy: -193.661979
where:
bonds (distance) C4'-P energy: -37.582
bonds (distance) P-C4' energy: -35.278
flat angles C4'-P-C4' energy: -39.852
flat angles P-C4'-P energy: -28.294
tors. eta vs tors. theta energy: -52.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -557.055229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.055229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.055229 (E_RNA)
where:
Base-Base interactions energy: -359.110
where: short stacking energy: -159.832
Base-Backbone interact. energy: -0.238
local terms energy: -197.706886
where:
bonds (distance) C4'-P energy: -35.622
bonds (distance) P-C4' energy: -30.209
flat angles C4'-P-C4' energy: -46.341
flat angles P-C4'-P energy: -30.639
tors. eta vs tors. theta energy: -54.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -558.282468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.282468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.282468 (E_RNA)
where:
Base-Base interactions energy: -380.190
where: short stacking energy: -173.057
Base-Backbone interact. energy: -0.661
local terms energy: -177.431790
where:
bonds (distance) C4'-P energy: -31.041
bonds (distance) P-C4' energy: -34.076
flat angles C4'-P-C4' energy: -38.146
flat angles P-C4'-P energy: -24.956
tors. eta vs tors. theta energy: -49.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -391.352897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.352897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.352897 (E_RNA)
where:
Base-Base interactions energy: -251.395
where: short stacking energy: -127.359
Base-Backbone interact. energy: -0.432
local terms energy: -139.525978
where:
bonds (distance) C4'-P energy: -30.467
bonds (distance) P-C4' energy: -35.350
flat angles C4'-P-C4' energy: -35.767
flat angles P-C4'-P energy: -16.561
tors. eta vs tors. theta energy: -21.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -201.474198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.474198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.474198 (E_RNA)
where:
Base-Base interactions energy: -68.236
where: short stacking energy: -49.111
Base-Backbone interact. energy: -0.663
local terms energy: -132.575371
where:
bonds (distance) C4'-P energy: -31.729
bonds (distance) P-C4' energy: -42.007
flat angles C4'-P-C4' energy: -31.768
flat angles P-C4'-P energy: -31.365
tors. eta vs tors. theta energy: 4.295
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: 5
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -177.318269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.318269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.318269 (E_RNA)
where:
Base-Base interactions energy: -71.973
where: short stacking energy: -45.137
Base-Backbone interact. energy: 0.710
local terms energy: -106.054999
where:
bonds (distance) C4'-P energy: -35.000
bonds (distance) P-C4' energy: -28.475
flat angles C4'-P-C4' energy: -33.121
flat angles P-C4'-P energy: -17.660
tors. eta vs tors. theta energy: 8.202
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: 10, replica: 3
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -177.569556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.569556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.569556 (E_RNA)
where:
Base-Base interactions energy: -61.807
where: short stacking energy: -51.166
Base-Backbone interact. energy: 0.356
local terms energy: -116.118440
where:
bonds (distance) C4'-P energy: -39.484
bonds (distance) P-C4' energy: -25.213
flat angles C4'-P-C4' energy: -24.701
flat angles P-C4'-P energy: -20.285
tors. eta vs tors. theta energy: -6.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -661.024973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.024973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.024973 (E_RNA)
where:
Base-Base interactions energy: -448.929
where: short stacking energy: -211.099
Base-Backbone interact. energy: 0.045
local terms energy: -212.141654
where:
bonds (distance) C4'-P energy: -39.954
bonds (distance) P-C4' energy: -41.594
flat angles C4'-P-C4' energy: -38.844
flat angles P-C4'-P energy: -30.333
tors. eta vs tors. theta energy: -61.417
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: 434
Temperature: 0.950000
Total energy: -647.954805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.954805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.954805 (E_RNA)
where:
Base-Base interactions energy: -446.347
where: short stacking energy: -196.631
Base-Backbone interact. energy: -0.204
local terms energy: -201.403803
where:
bonds (distance) C4'-P energy: -33.622
bonds (distance) P-C4' energy: -34.755
flat angles C4'-P-C4' energy: -44.408
flat angles P-C4'-P energy: -25.239
tors. eta vs tors. theta energy: -63.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -612.452412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.452412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.452412 (E_RNA)
where:
Base-Base interactions energy: -413.497
where: short stacking energy: -187.358
Base-Backbone interact. energy: -0.468
local terms energy: -198.487144
where:
bonds (distance) C4'-P energy: -39.785
bonds (distance) P-C4' energy: -30.755
flat angles C4'-P-C4' energy: -38.607
flat angles P-C4'-P energy: -31.546
tors. eta vs tors. theta energy: -57.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -570.407129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.407129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.407129 (E_RNA)
where:
Base-Base interactions energy: -365.589
where: short stacking energy: -183.381
Base-Backbone interact. energy: -0.622
local terms energy: -204.195848
where:
bonds (distance) C4'-P energy: -44.733
bonds (distance) P-C4' energy: -41.165
flat angles C4'-P-C4' energy: -39.684
flat angles P-C4'-P energy: -27.156
tors. eta vs tors. theta energy: -51.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -590.320698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.320698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.320698 (E_RNA)
where:
Base-Base interactions energy: -406.413
where: short stacking energy: -184.190
Base-Backbone interact. energy: -0.141
local terms energy: -183.766575
where:
bonds (distance) C4'-P energy: -36.778
bonds (distance) P-C4' energy: -34.679
flat angles C4'-P-C4' energy: -33.725
flat angles P-C4'-P energy: -25.092
tors. eta vs tors. theta energy: -53.493
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: 6, replica: 7
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -540.697717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.697717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.697717 (E_RNA)
where:
Base-Base interactions energy: -346.860
where: short stacking energy: -165.477
Base-Backbone interact. energy: -0.049
local terms energy: -193.787880
where:
bonds (distance) C4'-P energy: -37.309
bonds (distance) P-C4' energy: -34.445
flat angles C4'-P-C4' energy: -44.974
flat angles P-C4'-P energy: -21.568
tors. eta vs tors. theta energy: -55.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -361.641099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.641099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.641099 (E_RNA)
where:
Base-Base interactions energy: -225.469
where: short stacking energy: -106.288
Base-Backbone interact. energy: 0.678
local terms energy: -136.849899
where:
bonds (distance) C4'-P energy: -23.041
bonds (distance) P-C4' energy: -35.108
flat angles C4'-P-C4' energy: -43.407
flat angles P-C4'-P energy: -26.631
tors. eta vs tors. theta energy: -8.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -208.308504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.308504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.308504 (E_RNA)
where:
Base-Base interactions energy: -83.195
where: short stacking energy: -68.696
Base-Backbone interact. energy: -0.570
local terms energy: -124.543970
where:
bonds (distance) C4'-P energy: -29.952
bonds (distance) P-C4' energy: -43.123
flat angles C4'-P-C4' energy: -33.702
flat angles P-C4'-P energy: -13.121
tors. eta vs tors. theta energy: -4.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -180.857557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.857557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.857557 (E_RNA)
where:
Base-Base interactions energy: -48.955
where: short stacking energy: -41.015
Base-Backbone interact. energy: 0.596
local terms energy: -132.498056
where:
bonds (distance) C4'-P energy: -37.578
bonds (distance) P-C4' energy: -34.679
flat angles C4'-P-C4' energy: -32.251
flat angles P-C4'-P energy: -25.482
tors. eta vs tors. theta energy: -2.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -194.745473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.745473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.745473 (E_RNA)
where:
Base-Base interactions energy: -74.101
where: short stacking energy: -50.747
Base-Backbone interact. energy: -0.688
local terms energy: -119.955958
where:
bonds (distance) C4'-P energy: -30.676
bonds (distance) P-C4' energy: -36.912
flat angles C4'-P-C4' energy: -34.878
flat angles P-C4'-P energy: -13.201
tors. eta vs tors. theta energy: -4.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -662.081894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.081894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.081894 (E_RNA)
where:
Base-Base interactions energy: -444.732
where: short stacking energy: -194.895
Base-Backbone interact. energy: 0.615
local terms energy: -217.965405
where:
bonds (distance) C4'-P energy: -38.121
bonds (distance) P-C4' energy: -43.544
flat angles C4'-P-C4' energy: -44.245
flat angles P-C4'-P energy: -27.054
tors. eta vs tors. theta energy: -65.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -612.191399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.191399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.191399 (E_RNA)
where:
Base-Base interactions energy: -398.846
where: short stacking energy: -191.168
Base-Backbone interact. energy: -1.398
local terms energy: -211.947427
where:
bonds (distance) C4'-P energy: -43.040
bonds (distance) P-C4' energy: -38.323
flat angles C4'-P-C4' energy: -37.557
flat angles P-C4'-P energy: -30.262
tors. eta vs tors. theta energy: -62.765
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: 2
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -639.772499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.772499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.772499 (E_RNA)
where:
Base-Base interactions energy: -436.819
where: short stacking energy: -186.255
Base-Backbone interact. energy: -0.187
local terms energy: -202.767075
where:
bonds (distance) C4'-P energy: -37.757
bonds (distance) P-C4' energy: -38.247
flat angles C4'-P-C4' energy: -43.878
flat angles P-C4'-P energy: -27.191
tors. eta vs tors. theta energy: -55.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -568.578956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.578956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.578956 (E_RNA)
where:
Base-Base interactions energy: -374.777
where: short stacking energy: -176.870
Base-Backbone interact. energy: -0.177
local terms energy: -193.624915
where:
bonds (distance) C4'-P energy: -27.219
bonds (distance) P-C4' energy: -33.077
flat angles C4'-P-C4' energy: -43.626
flat angles P-C4'-P energy: -37.446
tors. eta vs tors. theta energy: -52.256
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: 1
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -558.265486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.265486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.265486 (E_RNA)
where:
Base-Base interactions energy: -377.799
where: short stacking energy: -173.445
Base-Backbone interact. energy: -0.764
local terms energy: -179.702238
where:
bonds (distance) C4'-P energy: -30.205
bonds (distance) P-C4' energy: -34.302
flat angles C4'-P-C4' energy: -41.079
flat angles P-C4'-P energy: -26.550
tors. eta vs tors. theta energy: -47.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -540.327587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.327587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.327587 (E_RNA)
where:
Base-Base interactions energy: -345.366
where: short stacking energy: -156.212
Base-Backbone interact. energy: -0.808
local terms energy: -194.154367
where:
bonds (distance) C4'-P energy: -40.108
bonds (distance) P-C4' energy: -26.568
flat angles C4'-P-C4' energy: -43.958
flat angles P-C4'-P energy: -26.407
tors. eta vs tors. theta energy: -57.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -345.746967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.746967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.746967 (E_RNA)
where:
Base-Base interactions energy: -212.904
where: short stacking energy: -91.124
Base-Backbone interact. energy: 1.250
local terms energy: -134.092147
where:
bonds (distance) C4'-P energy: -36.263
bonds (distance) P-C4' energy: -34.679
flat angles C4'-P-C4' energy: -23.228
flat angles P-C4'-P energy: -25.613
tors. eta vs tors. theta energy: -14.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -204.029622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.029622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.029622 (E_RNA)
where:
Base-Base interactions energy: -79.892
where: short stacking energy: -65.838
Base-Backbone interact. energy: -0.083
local terms energy: -124.054776
where:
bonds (distance) C4'-P energy: -40.341
bonds (distance) P-C4' energy: -34.540
flat angles C4'-P-C4' energy: -30.124
flat angles P-C4'-P energy: -14.998
tors. eta vs tors. theta energy: -4.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -180.714233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.714233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.714233 (E_RNA)
where:
Base-Base interactions energy: -60.556
where: short stacking energy: -59.153
Base-Backbone interact. energy: -0.509
local terms energy: -119.649110
where:
bonds (distance) C4'-P energy: -31.823
bonds (distance) P-C4' energy: -44.204
flat angles C4'-P-C4' energy: -22.496
flat angles P-C4'-P energy: -14.471
tors. eta vs tors. theta energy: -6.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -174.785999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.785999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.785999 (E_RNA)
where:
Base-Base interactions energy: -57.211
where: short stacking energy: -44.087
Base-Backbone interact. energy: -1.110
local terms energy: -116.465086
where:
bonds (distance) C4'-P energy: -32.286
bonds (distance) P-C4' energy: -36.398
flat angles C4'-P-C4' energy: -33.174
flat angles P-C4'-P energy: -19.389
tors. eta vs tors. theta energy: 4.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -665.658950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.658950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.658950 (E_RNA)
where:
Base-Base interactions energy: -449.860
where: short stacking energy: -217.156
Base-Backbone interact. energy: -0.775
local terms energy: -215.024267
where:
bonds (distance) C4'-P energy: -34.444
bonds (distance) P-C4' energy: -40.350
flat angles C4'-P-C4' energy: -41.071
flat angles P-C4'-P energy: -33.476
tors. eta vs tors. theta energy: -65.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -618.091286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.091286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.091286 (E_RNA)
where:
Base-Base interactions energy: -392.800
where: short stacking energy: -196.181
Base-Backbone interact. energy: -0.789
local terms energy: -224.502733
where:
bonds (distance) C4'-P energy: -42.145
bonds (distance) P-C4' energy: -45.246
flat angles C4'-P-C4' energy: -48.740
flat angles P-C4'-P energy: -31.237
tors. eta vs tors. theta energy: -57.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -632.175368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.175368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.175368 (E_RNA)
where:
Base-Base interactions energy: -426.999
where: short stacking energy: -177.636
Base-Backbone interact. energy: -0.048
local terms energy: -205.129178
where:
bonds (distance) C4'-P energy: -37.049
bonds (distance) P-C4' energy: -44.831
flat angles C4'-P-C4' energy: -46.008
flat angles P-C4'-P energy: -18.942
tors. eta vs tors. theta energy: -58.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -575.235260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.235260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.235260 (E_RNA)
where:
Base-Base interactions energy: -373.105
where: short stacking energy: -179.823
Base-Backbone interact. energy: 0.030
local terms energy: -202.159911
where:
bonds (distance) C4'-P energy: -36.378
bonds (distance) P-C4' energy: -39.822
flat angles C4'-P-C4' energy: -46.267
flat angles P-C4'-P energy: -24.654
tors. eta vs tors. theta energy: -55.038
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: 5, replica: 7
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -543.759881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.759881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.759881 (E_RNA)
where:
Base-Base interactions energy: -347.278
where: short stacking energy: -169.316
Base-Backbone interact. energy: 2.145
local terms energy: -198.627423
where:
bonds (distance) C4'-P energy: -38.612
bonds (distance) P-C4' energy: -32.425
flat angles C4'-P-C4' energy: -44.505
flat angles P-C4'-P energy: -32.901
tors. eta vs tors. theta energy: -50.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -522.257476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.257476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.257476 (E_RNA)
where:
Base-Base interactions energy: -342.993
where: short stacking energy: -162.787
Base-Backbone interact. energy: 0.070
local terms energy: -179.334689
where:
bonds (distance) C4'-P energy: -30.372
bonds (distance) P-C4' energy: -38.757
flat angles C4'-P-C4' energy: -43.380
flat angles P-C4'-P energy: -20.767
tors. eta vs tors. theta energy: -46.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -352.928362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.928362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.928362 (E_RNA)
where:
Base-Base interactions energy: -200.970
where: short stacking energy: -104.368
Base-Backbone interact. energy: 0.841
local terms energy: -152.799473
where:
bonds (distance) C4'-P energy: -29.069
bonds (distance) P-C4' energy: -34.737
flat angles C4'-P-C4' energy: -42.084
flat angles P-C4'-P energy: -20.999
tors. eta vs tors. theta energy: -25.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -204.049924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.049924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.049924 (E_RNA)
where:
Base-Base interactions energy: -79.790
where: short stacking energy: -54.017
Base-Backbone interact. energy: -0.509
local terms energy: -123.750302
where:
bonds (distance) C4'-P energy: -41.664
bonds (distance) P-C4' energy: -35.739
flat angles C4'-P-C4' energy: -27.836
flat angles P-C4'-P energy: -19.187
tors. eta vs tors. theta energy: 0.676
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: 9, replica: 5
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -178.710747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.710747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.710747 (E_RNA)
where:
Base-Base interactions energy: -62.564
where: short stacking energy: -45.247
Base-Backbone interact. energy: -0.679
local terms energy: -115.468222
where:
bonds (distance) C4'-P energy: -36.230
bonds (distance) P-C4' energy: -37.034
flat angles C4'-P-C4' energy: -27.108
flat angles P-C4'-P energy: -15.580
tors. eta vs tors. theta energy: 0.484
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: 3
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -179.463245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.463245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.463245 (E_RNA)
where:
Base-Base interactions energy: -51.860
where: short stacking energy: -46.058
Base-Backbone interact. energy: -1.286
local terms energy: -126.317487
where:
bonds (distance) C4'-P energy: -30.063
bonds (distance) P-C4' energy: -39.341
flat angles C4'-P-C4' energy: -32.696
flat angles P-C4'-P energy: -22.832
tors. eta vs tors. theta energy: -1.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -668.235100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.235100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.235100 (E_RNA)
where:
Base-Base interactions energy: -449.634
where: short stacking energy: -209.352
Base-Backbone interact. energy: -0.205
local terms energy: -218.396565
where:
bonds (distance) C4'-P energy: -37.682
bonds (distance) P-C4' energy: -42.277
flat angles C4'-P-C4' energy: -47.977
flat angles P-C4'-P energy: -31.818
tors. eta vs tors. theta energy: -58.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -648.246892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.246892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.246892 (E_RNA)
where:
Base-Base interactions energy: -438.334
where: short stacking energy: -199.279
Base-Backbone interact. energy: 0.497
local terms energy: -210.409900
where:
bonds (distance) C4'-P energy: -41.513
bonds (distance) P-C4' energy: -38.574
flat angles C4'-P-C4' energy: -40.766
flat angles P-C4'-P energy: -31.707
tors. eta vs tors. theta energy: -57.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -587.103666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.103666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.103666 (E_RNA)
where:
Base-Base interactions energy: -382.924
where: short stacking energy: -192.930
Base-Backbone interact. energy: 0.280
local terms energy: -204.460037
where:
bonds (distance) C4'-P energy: -40.755
bonds (distance) P-C4' energy: -36.221
flat angles C4'-P-C4' energy: -45.337
flat angles P-C4'-P energy: -22.679
tors. eta vs tors. theta energy: -59.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -558.060587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.060587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.060587 (E_RNA)
where:
Base-Base interactions energy: -365.696
where: short stacking energy: -164.389
Base-Backbone interact. energy: 2.013
local terms energy: -194.377381
where:
bonds (distance) C4'-P energy: -38.155
bonds (distance) P-C4' energy: -38.611
flat angles C4'-P-C4' energy: -42.344
flat angles P-C4'-P energy: -25.761
tors. eta vs tors. theta energy: -49.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -563.152232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.152232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.152232 (E_RNA)
where:
Base-Base interactions energy: -376.567
where: short stacking energy: -175.205
Base-Backbone interact. energy: -0.040
local terms energy: -186.545227
where:
bonds (distance) C4'-P energy: -29.318
bonds (distance) P-C4' energy: -40.476
flat angles C4'-P-C4' energy: -36.862
flat angles P-C4'-P energy: -23.553
tors. eta vs tors. theta energy: -56.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -521.940939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.940939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.940939 (E_RNA)
where:
Base-Base interactions energy: -348.351
where: short stacking energy: -157.378
Base-Backbone interact. energy: -0.288
local terms energy: -173.301197
where:
bonds (distance) C4'-P energy: -36.085
bonds (distance) P-C4' energy: -34.582
flat angles C4'-P-C4' energy: -36.026
flat angles P-C4'-P energy: -24.498
tors. eta vs tors. theta energy: -42.109
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: 6
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -314.002508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.002508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.002508 (E_RNA)
where:
Base-Base interactions energy: -173.642
where: short stacking energy: -77.221
Base-Backbone interact. energy: -1.110
local terms energy: -139.250641
where:
bonds (distance) C4'-P energy: -32.700
bonds (distance) P-C4' energy: -42.989
flat angles C4'-P-C4' energy: -35.429
flat angles P-C4'-P energy: -16.808
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: 8, replica: 5
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -214.323894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.323894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.323894 (E_RNA)
where:
Base-Base interactions energy: -97.172
where: short stacking energy: -56.148
Base-Backbone interact. energy: -1.487
local terms energy: -115.664993
where:
bonds (distance) C4'-P energy: -31.654
bonds (distance) P-C4' energy: -31.410
flat angles C4'-P-C4' energy: -31.735
flat angles P-C4'-P energy: -19.018
tors. eta vs tors. theta energy: -1.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -186.110610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.110610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.110610 (E_RNA)
where:
Base-Base interactions energy: -77.274
where: short stacking energy: -71.269
Base-Backbone interact. energy: -2.376
local terms energy: -106.460290
where:
bonds (distance) C4'-P energy: -38.268
bonds (distance) P-C4' energy: -29.744
flat angles C4'-P-C4' energy: -28.736
flat angles P-C4'-P energy: -11.742
tors. eta vs tors. theta energy: 2.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -164.404442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.404442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.404442 (E_RNA)
where:
Base-Base interactions energy: -53.130
where: short stacking energy: -45.289
Base-Backbone interact. energy: -0.715
local terms energy: -110.559319
where:
bonds (distance) C4'-P energy: -34.267
bonds (distance) P-C4' energy: -33.156
flat angles C4'-P-C4' energy: -26.941
flat angles P-C4'-P energy: -25.870
tors. eta vs tors. theta energy: 9.675
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: 4
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -669.475542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.475542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.475542 (E_RNA)
where:
Base-Base interactions energy: -442.256
where: short stacking energy: -210.630
Base-Backbone interact. energy: -1.899
local terms energy: -225.320137
where:
bonds (distance) C4'-P energy: -30.237
bonds (distance) P-C4' energy: -44.195
flat angles C4'-P-C4' energy: -45.209
flat angles P-C4'-P energy: -35.243
tors. eta vs tors. theta energy: -70.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -652.408832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.408832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.408832 (E_RNA)
where:
Base-Base interactions energy: -437.197
where: short stacking energy: -189.957
Base-Backbone interact. energy: -0.901
local terms energy: -214.310644
where:
bonds (distance) C4'-P energy: -42.769
bonds (distance) P-C4' energy: -36.030
flat angles C4'-P-C4' energy: -39.225
flat angles P-C4'-P energy: -35.094
tors. eta vs tors. theta energy: -61.192
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: 8
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -587.786103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.786103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.786103 (E_RNA)
where:
Base-Base interactions energy: -394.086
where: short stacking energy: -182.418
Base-Backbone interact. energy: -0.287
local terms energy: -193.413571
where:
bonds (distance) C4'-P energy: -34.745
bonds (distance) P-C4' energy: -31.996
flat angles C4'-P-C4' energy: -43.570
flat angles P-C4'-P energy: -28.010
tors. eta vs tors. theta energy: -55.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -579.540804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.540804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.540804 (E_RNA)
where:
Base-Base interactions energy: -376.346
where: short stacking energy: -182.424
Base-Backbone interact. energy: -0.129
local terms energy: -203.065326
where:
bonds (distance) C4'-P energy: -36.854
bonds (distance) P-C4' energy: -38.893
flat angles C4'-P-C4' energy: -41.820
flat angles P-C4'-P energy: -29.541
tors. eta vs tors. theta energy: -55.958
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: 5, replica: 7
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -555.480540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.480540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.480540 (E_RNA)
where:
Base-Base interactions energy: -353.287
where: short stacking energy: -175.573
Base-Backbone interact. energy: -0.474
local terms energy: -201.719268
where:
bonds (distance) C4'-P energy: -36.736
bonds (distance) P-C4' energy: -35.121
flat angles C4'-P-C4' energy: -43.320
flat angles P-C4'-P energy: -26.819
tors. eta vs tors. theta energy: -59.723
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: 1
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -542.281991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.281991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.281991 (E_RNA)
where:
Base-Base interactions energy: -364.371
where: short stacking energy: -174.554
Base-Backbone interact. energy: -0.070
local terms energy: -177.840612
where:
bonds (distance) C4'-P energy: -26.786
bonds (distance) P-C4' energy: -34.975
flat angles C4'-P-C4' energy: -36.859
flat angles P-C4'-P energy: -30.225
tors. eta vs tors. theta energy: -48.996
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: 6
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -329.199959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.199959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.199959 (E_RNA)
where:
Base-Base interactions energy: -180.187
where: short stacking energy: -104.047
Base-Backbone interact. energy: -0.396
local terms energy: -148.616538
where:
bonds (distance) C4'-P energy: -42.566
bonds (distance) P-C4' energy: -33.459
flat angles C4'-P-C4' energy: -27.701
flat angles P-C4'-P energy: -18.808
tors. eta vs tors. theta energy: -26.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -202.550923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.550923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.550923 (E_RNA)
where:
Base-Base interactions energy: -93.124
where: short stacking energy: -48.688
Base-Backbone interact. energy: -1.268
local terms energy: -108.159443
where:
bonds (distance) C4'-P energy: -34.301
bonds (distance) P-C4' energy: -37.910
flat angles C4'-P-C4' energy: -25.534
flat angles P-C4'-P energy: -22.004
tors. eta vs tors. theta energy: 11.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -206.999038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.999038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.999038 (E_RNA)
where:
Base-Base interactions energy: -76.795
where: short stacking energy: -52.405
Base-Backbone interact. energy: -0.126
local terms energy: -130.078414
where:
bonds (distance) C4'-P energy: -35.258
bonds (distance) P-C4' energy: -38.183
flat angles C4'-P-C4' energy: -35.075
flat angles P-C4'-P energy: -19.512
tors. eta vs tors. theta energy: -2.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -173.241763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.241763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.241763 (E_RNA)
where:
Base-Base interactions energy: -48.443
where: short stacking energy: -25.575
Base-Backbone interact. energy: -1.048
local terms energy: -123.750213
where:
bonds (distance) C4'-P energy: -43.587
bonds (distance) P-C4' energy: -40.037
flat angles C4'-P-C4' energy: -25.642
flat angles P-C4'-P energy: -24.287
tors. eta vs tors. theta energy: 9.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -664.166440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.166440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.166440 (E_RNA)
where:
Base-Base interactions energy: -441.767
where: short stacking energy: -211.166
Base-Backbone interact. energy: -1.936
local terms energy: -220.463287
where:
bonds (distance) C4'-P energy: -41.283
bonds (distance) P-C4' energy: -38.205
flat angles C4'-P-C4' energy: -47.570
flat angles P-C4'-P energy: -23.948
tors. eta vs tors. theta energy: -69.457
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: 2, replica: 8
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -608.806945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.806945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.806945 (E_RNA)
where:
Base-Base interactions energy: -404.664
where: short stacking energy: -174.957
Base-Backbone interact. energy: -0.464
local terms energy: -203.679371
where:
bonds (distance) C4'-P energy: -38.527
bonds (distance) P-C4' energy: -39.223
flat angles C4'-P-C4' energy: -42.978
flat angles P-C4'-P energy: -32.273
tors. eta vs tors. theta energy: -50.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -626.227288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.227288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.227288 (E_RNA)
where:
Base-Base interactions energy: -419.600
where: short stacking energy: -180.917
Base-Backbone interact. energy: -0.093
local terms energy: -206.534416
where:
bonds (distance) C4'-P energy: -36.731
bonds (distance) P-C4' energy: -41.961
flat angles C4'-P-C4' energy: -40.084
flat angles P-C4'-P energy: -31.483
tors. eta vs tors. theta energy: -56.275
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: 4, replica: 7
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -585.325349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.325349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.325349 (E_RNA)
where:
Base-Base interactions energy: -382.085
where: short stacking energy: -191.047
Base-Backbone interact. energy: -0.679
local terms energy: -202.560953
where:
bonds (distance) C4'-P energy: -39.605
bonds (distance) P-C4' energy: -39.261
flat angles C4'-P-C4' energy: -38.664
flat angles P-C4'-P energy: -29.174
tors. eta vs tors. theta energy: -55.856
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: 9
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -572.328597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.328597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.328597 (E_RNA)
where:
Base-Base interactions energy: -383.937
where: short stacking energy: -184.100
Base-Backbone interact. energy: -0.655
local terms energy: -187.736523
where:
bonds (distance) C4'-P energy: -29.874
bonds (distance) P-C4' energy: -34.951
flat angles C4'-P-C4' energy: -41.856
flat angles P-C4'-P energy: -27.351
tors. eta vs tors. theta energy: -53.705
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: 1
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -534.950034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.950034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.950034 (E_RNA)
where:
Base-Base interactions energy: -348.647
where: short stacking energy: -147.035
Base-Backbone interact. energy: 0.058
local terms energy: -186.361151
where:
bonds (distance) C4'-P energy: -40.097
bonds (distance) P-C4' energy: -32.162
flat angles C4'-P-C4' energy: -45.611
flat angles P-C4'-P energy: -23.988
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: 7, replica: 6
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -386.599403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.599403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.599403 (E_RNA)
where:
Base-Base interactions energy: -231.908
where: short stacking energy: -111.500
Base-Backbone interact. energy: -0.646
local terms energy: -154.046317
where:
bonds (distance) C4'-P energy: -35.470
bonds (distance) P-C4' energy: -38.336
flat angles C4'-P-C4' energy: -41.208
flat angles P-C4'-P energy: -21.920
tors. eta vs tors. theta energy: -17.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -218.000227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.000227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.000227 (E_RNA)
where:
Base-Base interactions energy: -90.743
where: short stacking energy: -59.526
Base-Backbone interact. energy: 0.255
local terms energy: -127.512335
where:
bonds (distance) C4'-P energy: -38.406
bonds (distance) P-C4' energy: -30.641
flat angles C4'-P-C4' energy: -43.801
flat angles P-C4'-P energy: -14.447
tors. eta vs tors. theta energy: -0.218
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: 5
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -169.347626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.347626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.347626 (E_RNA)
where:
Base-Base interactions energy: -42.944
where: short stacking energy: -37.759
Base-Backbone interact. energy: -0.093
local terms energy: -126.311169
where:
bonds (distance) C4'-P energy: -37.613
bonds (distance) P-C4' energy: -35.109
flat angles C4'-P-C4' energy: -38.627
flat angles P-C4'-P energy: -21.452
tors. eta vs tors. theta energy: 6.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -180.154081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.154081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.154081 (E_RNA)
where:
Base-Base interactions energy: -67.874
where: short stacking energy: -62.687
Base-Backbone interact. energy: 1.777
local terms energy: -114.056902
where:
bonds (distance) C4'-P energy: -39.763
bonds (distance) P-C4' energy: -29.045
flat angles C4'-P-C4' energy: -29.750
flat angles P-C4'-P energy: -16.993
tors. eta vs tors. theta energy: 1.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -679.675493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.675493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.675493 (E_RNA)
where:
Base-Base interactions energy: -452.999
where: short stacking energy: -210.965
Base-Backbone interact. energy: -1.094
local terms energy: -225.581736
where:
bonds (distance) C4'-P energy: -36.230
bonds (distance) P-C4' energy: -43.536
flat angles C4'-P-C4' energy: -44.510
flat angles P-C4'-P energy: -33.633
tors. eta vs tors. theta energy: -67.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -616.181219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.181219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.181219 (E_RNA)
where:
Base-Base interactions energy: -403.893
where: short stacking energy: -202.153
Base-Backbone interact. energy: -0.853
local terms energy: -211.434571
where:
bonds (distance) C4'-P energy: -38.311
bonds (distance) P-C4' energy: -38.794
flat angles C4'-P-C4' energy: -44.416
flat angles P-C4'-P energy: -30.096
tors. eta vs tors. theta energy: -59.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -610.268494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.268494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.268494 (E_RNA)
where:
Base-Base interactions energy: -392.155
where: short stacking energy: -190.765
Base-Backbone interact. energy: -0.095
local terms energy: -218.018881
where:
bonds (distance) C4'-P energy: -34.961
bonds (distance) P-C4' energy: -43.145
flat angles C4'-P-C4' energy: -46.247
flat angles P-C4'-P energy: -33.639
tors. eta vs tors. theta energy: -60.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -602.846460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.846460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.846460 (E_RNA)
where:
Base-Base interactions energy: -403.672
where: short stacking energy: -166.588
Base-Backbone interact. energy: -1.081
local terms energy: -198.093552
where:
bonds (distance) C4'-P energy: -33.402
bonds (distance) P-C4' energy: -40.122
flat angles C4'-P-C4' energy: -41.946
flat angles P-C4'-P energy: -27.076
tors. eta vs tors. theta energy: -55.547
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: 1
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -584.413138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.413138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.413138 (E_RNA)
where:
Base-Base interactions energy: -392.092
where: short stacking energy: -188.641
Base-Backbone interact. energy: -0.116
local terms energy: -192.205585
where:
bonds (distance) C4'-P energy: -31.271
bonds (distance) P-C4' energy: -37.177
flat angles C4'-P-C4' energy: -41.253
flat angles P-C4'-P energy: -25.705
tors. eta vs tors. theta energy: -56.800
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: 6, replica: 9
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -536.517070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.517070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.517070 (E_RNA)
where:
Base-Base interactions energy: -342.436
where: short stacking energy: -161.830
Base-Backbone interact. energy: -0.825
local terms energy: -193.255697
where:
bonds (distance) C4'-P energy: -34.843
bonds (distance) P-C4' energy: -39.550
flat angles C4'-P-C4' energy: -38.189
flat angles P-C4'-P energy: -30.767
tors. eta vs tors. theta energy: -49.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -354.946932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.946932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.946932 (E_RNA)
where:
Base-Base interactions energy: -223.084
where: short stacking energy: -98.882
Base-Backbone interact. energy: 0.086
local terms energy: -131.948904
where:
bonds (distance) C4'-P energy: -37.550
bonds (distance) P-C4' energy: -33.614
flat angles C4'-P-C4' energy: -21.502
flat angles P-C4'-P energy: -23.629
tors. eta vs tors. theta energy: -15.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -236.129757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.129757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.129757 (E_RNA)
where:
Base-Base interactions energy: -105.045
where: short stacking energy: -58.921
Base-Backbone interact. energy: 0.477
local terms energy: -131.561995
where:
bonds (distance) C4'-P energy: -35.346
bonds (distance) P-C4' energy: -38.621
flat angles C4'-P-C4' energy: -37.264
flat angles P-C4'-P energy: -19.766
tors. eta vs tors. theta energy: -0.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -184.730809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.730809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.730809 (E_RNA)
where:
Base-Base interactions energy: -63.644
where: short stacking energy: -59.785
Base-Backbone interact. energy: 1.844
local terms energy: -122.930934
where:
bonds (distance) C4'-P energy: -33.637
bonds (distance) P-C4' energy: -42.805
flat angles C4'-P-C4' energy: -30.174
flat angles P-C4'-P energy: -17.659
tors. eta vs tors. theta energy: 1.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -168.529003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.529003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.529003 (E_RNA)
where:
Base-Base interactions energy: -57.112
where: short stacking energy: -54.877
Base-Backbone interact. energy: 0.046
local terms energy: -111.463517
where:
bonds (distance) C4'-P energy: -34.804
bonds (distance) P-C4' energy: -20.099
flat angles C4'-P-C4' energy: -34.092
flat angles P-C4'-P energy: -18.360
tors. eta vs tors. theta energy: -4.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -668.270165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.270165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.270165 (E_RNA)
where:
Base-Base interactions energy: -447.315
where: short stacking energy: -212.289
Base-Backbone interact. energy: -1.012
local terms energy: -219.943461
where:
bonds (distance) C4'-P energy: -42.382
bonds (distance) P-C4' energy: -39.577
flat angles C4'-P-C4' energy: -42.767
flat angles P-C4'-P energy: -27.587
tors. eta vs tors. theta energy: -67.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -624.018366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.018366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.018366 (E_RNA)
where:
Base-Base interactions energy: -397.834
where: short stacking energy: -194.468
Base-Backbone interact. energy: -0.003
local terms energy: -226.180871
where:
bonds (distance) C4'-P energy: -41.624
bonds (distance) P-C4' energy: -44.720
flat angles C4'-P-C4' energy: -43.590
flat angles P-C4'-P energy: -31.253
tors. eta vs tors. theta energy: -64.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -605.083513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.083513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.083513 (E_RNA)
where:
Base-Base interactions energy: -392.057
where: short stacking energy: -194.925
Base-Backbone interact. energy: -0.077
local terms energy: -212.949633
where:
bonds (distance) C4'-P energy: -34.280
bonds (distance) P-C4' energy: -33.615
flat angles C4'-P-C4' energy: -47.610
flat angles P-C4'-P energy: -36.195
tors. eta vs tors. theta energy: -61.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -635.475541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.475541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.475541 (E_RNA)
where:
Base-Base interactions energy: -428.281
where: short stacking energy: -183.621
Base-Backbone interact. energy: -0.687
local terms energy: -206.506913
where:
bonds (distance) C4'-P energy: -38.443
bonds (distance) P-C4' energy: -39.707
flat angles C4'-P-C4' energy: -43.317
flat angles P-C4'-P energy: -30.063
tors. eta vs tors. theta energy: -54.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -575.145528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.145528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.145528 (E_RNA)
where:
Base-Base interactions energy: -388.375
where: short stacking energy: -157.459
Base-Backbone interact. energy: 0.031
local terms energy: -186.800803
where:
bonds (distance) C4'-P energy: -33.821
bonds (distance) P-C4' energy: -43.138
flat angles C4'-P-C4' energy: -37.194
flat angles P-C4'-P energy: -22.529
tors. eta vs tors. theta energy: -50.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -525.989453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.989453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.989453 (E_RNA)
where:
Base-Base interactions energy: -345.785
where: short stacking energy: -154.592
Base-Backbone interact. energy: 1.450
local terms energy: -181.653726
where:
bonds (distance) C4'-P energy: -36.878
bonds (distance) P-C4' energy: -34.300
flat angles C4'-P-C4' energy: -44.640
flat angles P-C4'-P energy: -25.007
tors. eta vs tors. theta energy: -40.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -362.849067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.849067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.849067 (E_RNA)
where:
Base-Base interactions energy: -221.685
where: short stacking energy: -109.190
Base-Backbone interact. energy: -0.029
local terms energy: -141.134216
where:
bonds (distance) C4'-P energy: -30.999
bonds (distance) P-C4' energy: -35.561
flat angles C4'-P-C4' energy: -31.072
flat angles P-C4'-P energy: -24.543
tors. eta vs tors. theta energy: -18.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -191.863875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.863875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.863875 (E_RNA)
where:
Base-Base interactions energy: -54.454
where: short stacking energy: -47.271
Base-Backbone interact. energy: 1.553
local terms energy: -138.962597
where:
bonds (distance) C4'-P energy: -31.989
bonds (distance) P-C4' energy: -41.678
flat angles C4'-P-C4' energy: -40.551
flat angles P-C4'-P energy: -20.619
tors. eta vs tors. theta energy: -4.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -176.545988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.545988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.545988 (E_RNA)
where:
Base-Base interactions energy: -42.480
where: short stacking energy: -42.001
Base-Backbone interact. energy: -0.084
local terms energy: -133.982084
where:
bonds (distance) C4'-P energy: -34.245
bonds (distance) P-C4' energy: -38.915
flat angles C4'-P-C4' energy: -37.029
flat angles P-C4'-P energy: -20.686
tors. eta vs tors. theta energy: -3.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -196.849742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.849742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.849742 (E_RNA)
where:
Base-Base interactions energy: -74.701
where: short stacking energy: -52.281
Base-Backbone interact. energy: 1.603
local terms energy: -123.751927
where:
bonds (distance) C4'-P energy: -38.886
bonds (distance) P-C4' energy: -26.249
flat angles C4'-P-C4' energy: -40.288
flat angles P-C4'-P energy: -17.484
tors. eta vs tors. theta energy: -0.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -666.392466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.392466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.392466 (E_RNA)
where:
Base-Base interactions energy: -449.263
where: short stacking energy: -201.086
Base-Backbone interact. energy: -0.443
local terms energy: -216.686610
where:
bonds (distance) C4'-P energy: -42.541
bonds (distance) P-C4' energy: -44.510
flat angles C4'-P-C4' energy: -37.926
flat angles P-C4'-P energy: -29.909
tors. eta vs tors. theta energy: -61.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -610.387553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.387553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.387553 (E_RNA)
where:
Base-Base interactions energy: -398.768
where: short stacking energy: -195.058
Base-Backbone interact. energy: -0.119
local terms energy: -211.501014
where:
bonds (distance) C4'-P energy: -35.480
bonds (distance) P-C4' energy: -40.989
flat angles C4'-P-C4' energy: -43.316
flat angles P-C4'-P energy: -31.100
tors. eta vs tors. theta energy: -60.616
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: 3, replica: 2
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -631.968415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.968415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.968415 (E_RNA)
where:
Base-Base interactions energy: -419.959
where: short stacking energy: -185.580
Base-Backbone interact. energy: -0.475
local terms energy: -211.534329
where:
bonds (distance) C4'-P energy: -31.771
bonds (distance) P-C4' energy: -40.410
flat angles C4'-P-C4' energy: -46.298
flat angles P-C4'-P energy: -26.799
tors. eta vs tors. theta energy: -66.257
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: 442
Temperature: 1.050000
Total energy: -580.768993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.768993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.768993 (E_RNA)
where:
Base-Base interactions energy: -372.045
where: short stacking energy: -180.711
Base-Backbone interact. energy: -0.563
local terms energy: -208.160479
where:
bonds (distance) C4'-P energy: -37.627
bonds (distance) P-C4' energy: -37.999
flat angles C4'-P-C4' energy: -43.355
flat angles P-C4'-P energy: -30.090
tors. eta vs tors. theta energy: -59.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -561.400849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.400849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.400849 (E_RNA)
where:
Base-Base interactions energy: -370.758
where: short stacking energy: -175.541
Base-Backbone interact. energy: -0.357
local terms energy: -190.286219
where:
bonds (distance) C4'-P energy: -38.603
bonds (distance) P-C4' energy: -41.745
flat angles C4'-P-C4' energy: -36.386
flat angles P-C4'-P energy: -22.831
tors. eta vs tors. theta energy: -50.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -559.170479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.170479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.170479 (E_RNA)
where:
Base-Base interactions energy: -368.657
where: short stacking energy: -167.905
Base-Backbone interact. energy: -1.406
local terms energy: -189.108031
where:
bonds (distance) C4'-P energy: -34.677
bonds (distance) P-C4' energy: -34.589
flat angles C4'-P-C4' energy: -45.518
flat angles P-C4'-P energy: -25.534
tors. eta vs tors. theta energy: -48.790
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: 7, replica: 6
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -380.139718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.139718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.139718 (E_RNA)
where:
Base-Base interactions energy: -221.470
where: short stacking energy: -105.857
Base-Backbone interact. energy: -0.338
local terms energy: -158.331432
where:
bonds (distance) C4'-P energy: -41.884
bonds (distance) P-C4' energy: -31.108
flat angles C4'-P-C4' energy: -36.585
flat angles P-C4'-P energy: -25.064
tors. eta vs tors. theta energy: -23.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -230.163823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.163823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.163823 (E_RNA)
where:
Base-Base interactions energy: -103.199
where: short stacking energy: -78.314
Base-Backbone interact. energy: -0.674
local terms energy: -126.291169
where:
bonds (distance) C4'-P energy: -39.231
bonds (distance) P-C4' energy: -34.548
flat angles C4'-P-C4' energy: -27.439
flat angles P-C4'-P energy: -15.587
tors. eta vs tors. theta energy: -9.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -213.618618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.618618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.618618 (E_RNA)
where:
Base-Base interactions energy: -89.461
where: short stacking energy: -50.587
Base-Backbone interact. energy: -1.057
local terms energy: -123.101253
where:
bonds (distance) C4'-P energy: -33.770
bonds (distance) P-C4' energy: -47.514
flat angles C4'-P-C4' energy: -20.345
flat angles P-C4'-P energy: -23.899
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: 3
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -179.375056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.375056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.375056 (E_RNA)
where:
Base-Base interactions energy: -83.203
where: short stacking energy: -56.316
Base-Backbone interact. energy: -1.562
local terms energy: -94.610860
where:
bonds (distance) C4'-P energy: -29.871
bonds (distance) P-C4' energy: -32.066
flat angles C4'-P-C4' energy: -21.876
flat angles P-C4'-P energy: -13.119
tors. eta vs tors. theta energy: 2.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -664.462107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.462107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.462107 (E_RNA)
where:
Base-Base interactions energy: -448.944
where: short stacking energy: -203.133
Base-Backbone interact. energy: -0.250
local terms energy: -215.267791
where:
bonds (distance) C4'-P energy: -33.508
bonds (distance) P-C4' energy: -40.647
flat angles C4'-P-C4' energy: -46.056
flat angles P-C4'-P energy: -32.238
tors. eta vs tors. theta energy: -62.818
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: 2
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -657.188495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.188495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.188495 (E_RNA)
where:
Base-Base interactions energy: -436.494
where: short stacking energy: -190.969
Base-Backbone interact. energy: 2.196
local terms energy: -222.889730
where:
bonds (distance) C4'-P energy: -44.290
bonds (distance) P-C4' energy: -44.019
flat angles C4'-P-C4' energy: -42.286
flat angles P-C4'-P energy: -29.983
tors. eta vs tors. theta energy: -62.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -610.627600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.627600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.627600 (E_RNA)
where:
Base-Base interactions energy: -399.319
where: short stacking energy: -205.432
Base-Backbone interact. energy: -0.464
local terms energy: -210.844456
where:
bonds (distance) C4'-P energy: -40.370
bonds (distance) P-C4' energy: -30.616
flat angles C4'-P-C4' energy: -46.169
flat angles P-C4'-P energy: -31.551
tors. eta vs tors. theta energy: -62.138
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: 4, replica: 7
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -583.244010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.244010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.244010 (E_RNA)
where:
Base-Base interactions energy: -373.715
where: short stacking energy: -193.443
Base-Backbone interact. energy: -0.272
local terms energy: -209.257342
where:
bonds (distance) C4'-P energy: -40.324
bonds (distance) P-C4' energy: -27.961
flat angles C4'-P-C4' energy: -42.598
flat angles P-C4'-P energy: -33.430
tors. eta vs tors. theta energy: -64.945
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: 9
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -541.936316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.936316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.936316 (E_RNA)
where:
Base-Base interactions energy: -347.974
where: short stacking energy: -176.898
Base-Backbone interact. energy: 0.188
local terms energy: -194.149479
where:
bonds (distance) C4'-P energy: -35.828
bonds (distance) P-C4' energy: -32.711
flat angles C4'-P-C4' energy: -44.075
flat angles P-C4'-P energy: -26.789
tors. eta vs tors. theta energy: -54.746
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: 1
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -553.537100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.537100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.537100 (E_RNA)
where:
Base-Base interactions energy: -377.887
where: short stacking energy: -155.153
Base-Backbone interact. energy: -0.736
local terms energy: -174.914116
where:
bonds (distance) C4'-P energy: -30.339
bonds (distance) P-C4' energy: -35.851
flat angles C4'-P-C4' energy: -39.629
flat angles P-C4'-P energy: -13.547
tors. eta vs tors. theta energy: -55.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -404.883556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.883556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.883556 (E_RNA)
where:
Base-Base interactions energy: -249.329
where: short stacking energy: -115.615
Base-Backbone interact. energy: 0.930
local terms energy: -156.484185
where:
bonds (distance) C4'-P energy: -32.051
bonds (distance) P-C4' energy: -29.679
flat angles C4'-P-C4' energy: -37.222
flat angles P-C4'-P energy: -29.084
tors. eta vs tors. theta energy: -28.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -272.043681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.043681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.043681 (E_RNA)
where:
Base-Base interactions energy: -147.971
where: short stacking energy: -80.423
Base-Backbone interact. energy: 1.740
local terms energy: -125.813022
where:
bonds (distance) C4'-P energy: -34.177
bonds (distance) P-C4' energy: -31.694
flat angles C4'-P-C4' energy: -34.070
flat angles P-C4'-P energy: -21.070
tors. eta vs tors. theta energy: -4.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -190.284976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.284976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.284976 (E_RNA)
where:
Base-Base interactions energy: -74.240
where: short stacking energy: -51.136
Base-Backbone interact. energy: 0.025
local terms energy: -116.070561
where:
bonds (distance) C4'-P energy: -28.000
bonds (distance) P-C4' energy: -35.641
flat angles C4'-P-C4' energy: -34.994
flat angles P-C4'-P energy: -15.527
tors. eta vs tors. theta energy: -1.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -168.832276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.832276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.832276 (E_RNA)
where:
Base-Base interactions energy: -57.143
where: short stacking energy: -49.909
Base-Backbone interact. energy: -0.326
local terms energy: -111.362852
where:
bonds (distance) C4'-P energy: -33.946
bonds (distance) P-C4' energy: -37.394
flat angles C4'-P-C4' energy: -36.981
flat angles P-C4'-P energy: -11.168
tors. eta vs tors. theta energy: 8.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -662.764717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.764717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.764717 (E_RNA)
where:
Base-Base interactions energy: -447.655
where: short stacking energy: -192.330
Base-Backbone interact. energy: -0.994
local terms energy: -214.115311
where:
bonds (distance) C4'-P energy: -37.728
bonds (distance) P-C4' energy: -43.805
flat angles C4'-P-C4' energy: -45.422
flat angles P-C4'-P energy: -30.244
tors. eta vs tors. theta energy: -56.916
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: 2
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -654.512085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.512085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.512085 (E_RNA)
where:
Base-Base interactions energy: -433.776
where: short stacking energy: -197.642
Base-Backbone interact. energy: -0.787
local terms energy: -219.948627
where:
bonds (distance) C4'-P energy: -41.730
bonds (distance) P-C4' energy: -45.608
flat angles C4'-P-C4' energy: -44.583
flat angles P-C4'-P energy: -26.108
tors. eta vs tors. theta energy: -61.919
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: 8
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -593.654816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.654816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.654816 (E_RNA)
where:
Base-Base interactions energy: -394.821
where: short stacking energy: -189.156
Base-Backbone interact. energy: 0.637
local terms energy: -199.471409
where:
bonds (distance) C4'-P energy: -32.717
bonds (distance) P-C4' energy: -32.927
flat angles C4'-P-C4' energy: -44.302
flat angles P-C4'-P energy: -33.794
tors. eta vs tors. theta energy: -55.731
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: 7
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -563.882399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.882399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.882399 (E_RNA)
where:
Base-Base interactions energy: -351.055
where: short stacking energy: -156.990
Base-Backbone interact. energy: -0.329
local terms energy: -212.498716
where:
bonds (distance) C4'-P energy: -40.517
bonds (distance) P-C4' energy: -39.671
flat angles C4'-P-C4' energy: -46.915
flat angles P-C4'-P energy: -35.893
tors. eta vs tors. theta energy: -49.502
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: 9
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -538.667469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.667469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.667469 (E_RNA)
where:
Base-Base interactions energy: -350.657
where: short stacking energy: -174.789
Base-Backbone interact. energy: -0.375
local terms energy: -187.635550
where:
bonds (distance) C4'-P energy: -33.495
bonds (distance) P-C4' energy: -38.397
flat angles C4'-P-C4' energy: -42.118
flat angles P-C4'-P energy: -22.688
tors. eta vs tors. theta energy: -50.938
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: 1
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -589.743578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.743578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.743578 (E_RNA)
where:
Base-Base interactions energy: -390.296
where: short stacking energy: -178.284
Base-Backbone interact. energy: 0.114
local terms energy: -199.561723
where:
bonds (distance) C4'-P energy: -35.787
bonds (distance) P-C4' energy: -37.270
flat angles C4'-P-C4' energy: -40.709
flat angles P-C4'-P energy: -28.550
tors. eta vs tors. theta energy: -57.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -386.471094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.471094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.471094 (E_RNA)
where:
Base-Base interactions energy: -244.814
where: short stacking energy: -106.416
Base-Backbone interact. energy: -0.779
local terms energy: -140.877506
where:
bonds (distance) C4'-P energy: -30.464
bonds (distance) P-C4' energy: -33.566
flat angles C4'-P-C4' energy: -36.838
flat angles P-C4'-P energy: -19.800
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: 8, replica: 5
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -208.366365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.366365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.366365 (E_RNA)
where:
Base-Base interactions energy: -75.315
where: short stacking energy: -56.883
Base-Backbone interact. energy: 0.793
local terms energy: -133.844451
where:
bonds (distance) C4'-P energy: -24.167
bonds (distance) P-C4' energy: -39.645
flat angles C4'-P-C4' energy: -41.993
flat angles P-C4'-P energy: -19.077
tors. eta vs tors. theta energy: -8.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -201.173931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.173931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.173931 (E_RNA)
where:
Base-Base interactions energy: -73.666
where: short stacking energy: -54.731
Base-Backbone interact. energy: -0.014
local terms energy: -127.493361
where:
bonds (distance) C4'-P energy: -29.860
bonds (distance) P-C4' energy: -35.206
flat angles C4'-P-C4' energy: -25.674
flat angles P-C4'-P energy: -31.907
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: 10, replica: 3
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -169.157155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.157155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.157155 (E_RNA)
where:
Base-Base interactions energy: -46.511
where: short stacking energy: -39.130
Base-Backbone interact. energy: 0.779
local terms energy: -123.425594
where:
bonds (distance) C4'-P energy: -31.921
bonds (distance) P-C4' energy: -44.665
flat angles C4'-P-C4' energy: -33.397
flat angles P-C4'-P energy: -20.945
tors. eta vs tors. theta energy: 7.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -662.695130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.695130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.695130 (E_RNA)
where:
Base-Base interactions energy: -442.901
where: short stacking energy: -184.349
Base-Backbone interact. energy: -0.615
local terms energy: -219.179198
where:
bonds (distance) C4'-P energy: -44.566
bonds (distance) P-C4' energy: -37.692
flat angles C4'-P-C4' energy: -47.434
flat angles P-C4'-P energy: -27.959
tors. eta vs tors. theta energy: -61.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -632.832789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.832789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.832789 (E_RNA)
where:
Base-Base interactions energy: -424.507
where: short stacking energy: -183.320
Base-Backbone interact. energy: -0.712
local terms energy: -207.613443
where:
bonds (distance) C4'-P energy: -37.357
bonds (distance) P-C4' energy: -42.178
flat angles C4'-P-C4' energy: -44.501
flat angles P-C4'-P energy: -28.556
tors. eta vs tors. theta energy: -55.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -589.864810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.864810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.864810 (E_RNA)
where:
Base-Base interactions energy: -394.006
where: short stacking energy: -180.331
Base-Backbone interact. energy: 0.261
local terms energy: -196.119904
where:
bonds (distance) C4'-P energy: -37.108
bonds (distance) P-C4' energy: -33.683
flat angles C4'-P-C4' energy: -39.779
flat angles P-C4'-P energy: -30.427
tors. eta vs tors. theta energy: -55.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -571.019685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.019685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.019685 (E_RNA)
where:
Base-Base interactions energy: -364.958
where: short stacking energy: -178.072
Base-Backbone interact. energy: -0.111
local terms energy: -205.951450
where:
bonds (distance) C4'-P energy: -34.904
bonds (distance) P-C4' energy: -41.649
flat angles C4'-P-C4' energy: -38.248
flat angles P-C4'-P energy: -34.728
tors. eta vs tors. theta energy: -56.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -551.663498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.663498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.663498 (E_RNA)
where:
Base-Base interactions energy: -362.712
where: short stacking energy: -176.405
Base-Backbone interact. energy: -0.182
local terms energy: -188.768805
where:
bonds (distance) C4'-P energy: -32.001
bonds (distance) P-C4' energy: -36.656
flat angles C4'-P-C4' energy: -38.354
flat angles P-C4'-P energy: -28.381
tors. eta vs tors. theta energy: -53.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -543.664838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.664838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.664838 (E_RNA)
where:
Base-Base interactions energy: -365.017
where: short stacking energy: -161.046
Base-Backbone interact. energy: -1.070
local terms energy: -177.578634
where:
bonds (distance) C4'-P energy: -39.304
bonds (distance) P-C4' energy: -28.118
flat angles C4'-P-C4' energy: -31.629
flat angles P-C4'-P energy: -26.690
tors. eta vs tors. theta energy: -51.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -371.585407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.585407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.585407 (E_RNA)
where:
Base-Base interactions energy: -228.154
where: short stacking energy: -109.999
Base-Backbone interact. energy: 0.210
local terms energy: -143.642156
where:
bonds (distance) C4'-P energy: -31.419
bonds (distance) P-C4' energy: -28.107
flat angles C4'-P-C4' energy: -33.607
flat angles P-C4'-P energy: -25.272
tors. eta vs tors. theta energy: -25.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -209.289188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.289188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.289188 (E_RNA)
where:
Base-Base interactions energy: -93.166
where: short stacking energy: -46.330
Base-Backbone interact. energy: -1.290
local terms energy: -114.832852
where:
bonds (distance) C4'-P energy: -32.868
bonds (distance) P-C4' energy: -41.514
flat angles C4'-P-C4' energy: -28.494
flat angles P-C4'-P energy: -17.346
tors. eta vs tors. theta energy: 5.389
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: 10
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -204.276473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.276473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.276473 (E_RNA)
where:
Base-Base interactions energy: -76.772
where: short stacking energy: -51.345
Base-Backbone interact. energy: -0.398
local terms energy: -127.106296
where:
bonds (distance) C4'-P energy: -35.938
bonds (distance) P-C4' energy: -39.946
flat angles C4'-P-C4' energy: -24.410
flat angles P-C4'-P energy: -16.499
tors. eta vs tors. theta energy: -10.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -176.487376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.487376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.487376 (E_RNA)
where:
Base-Base interactions energy: -57.915
where: short stacking energy: -43.896
Base-Backbone interact. energy: -0.899
local terms energy: -117.673431
where:
bonds (distance) C4'-P energy: -40.992
bonds (distance) P-C4' energy: -30.743
flat angles C4'-P-C4' energy: -30.542
flat angles P-C4'-P energy: -16.880
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: 4
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -680.518871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.518871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.518871 (E_RNA)
where:
Base-Base interactions energy: -455.248
where: short stacking energy: -202.792
Base-Backbone interact. energy: -0.331
local terms energy: -224.940077
where:
bonds (distance) C4'-P energy: -41.533
bonds (distance) P-C4' energy: -40.226
flat angles C4'-P-C4' energy: -43.470
flat angles P-C4'-P energy: -33.231
tors. eta vs tors. theta energy: -66.479
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: 446
Temperature: 0.950000
Total energy: -637.016677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.016677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.016677 (E_RNA)
where:
Base-Base interactions energy: -427.357
where: short stacking energy: -188.037
Base-Backbone interact. energy: -0.191
local terms energy: -209.468702
where:
bonds (distance) C4'-P energy: -41.307
bonds (distance) P-C4' energy: -38.959
flat angles C4'-P-C4' energy: -46.559
flat angles P-C4'-P energy: -25.410
tors. eta vs tors. theta energy: -57.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -608.576713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.576713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.576713 (E_RNA)
where:
Base-Base interactions energy: -406.574
where: short stacking energy: -181.576
Base-Backbone interact. energy: -1.039
local terms energy: -200.964045
where:
bonds (distance) C4'-P energy: -36.648
bonds (distance) P-C4' energy: -40.039
flat angles C4'-P-C4' energy: -36.708
flat angles P-C4'-P energy: -32.027
tors. eta vs tors. theta energy: -55.542
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: 9
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -578.896756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.896756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.896756 (E_RNA)
where:
Base-Base interactions energy: -389.988
where: short stacking energy: -186.155
Base-Backbone interact. energy: -0.264
local terms energy: -188.644093
where:
bonds (distance) C4'-P energy: -38.655
bonds (distance) P-C4' energy: -36.953
flat angles C4'-P-C4' energy: -37.417
flat angles P-C4'-P energy: -21.201
tors. eta vs tors. theta energy: -54.418
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: 7
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -548.046985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.046985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.046985 (E_RNA)
where:
Base-Base interactions energy: -352.092
where: short stacking energy: -174.634
Base-Backbone interact. energy: -0.467
local terms energy: -195.488163
where:
bonds (distance) C4'-P energy: -36.296
bonds (distance) P-C4' energy: -37.100
flat angles C4'-P-C4' energy: -39.137
flat angles P-C4'-P energy: -27.733
tors. eta vs tors. theta energy: -55.222
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: 1
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -504.958648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.958648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.958648 (E_RNA)
where:
Base-Base interactions energy: -338.254
where: short stacking energy: -142.893
Base-Backbone interact. energy: -0.421
local terms energy: -166.283548
where:
bonds (distance) C4'-P energy: -31.049
bonds (distance) P-C4' energy: -32.058
flat angles C4'-P-C4' energy: -34.395
flat angles P-C4'-P energy: -32.012
tors. eta vs tors. theta energy: -36.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -332.283687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.283687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.283687 (E_RNA)
where:
Base-Base interactions energy: -183.976
where: short stacking energy: -86.873
Base-Backbone interact. energy: -0.928
local terms energy: -147.379704
where:
bonds (distance) C4'-P energy: -30.417
bonds (distance) P-C4' energy: -37.094
flat angles C4'-P-C4' energy: -37.491
flat angles P-C4'-P energy: -25.042
tors. eta vs tors. theta energy: -17.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -197.481548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.481548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.481548 (E_RNA)
where:
Base-Base interactions energy: -66.542
where: short stacking energy: -43.732
Base-Backbone interact. energy: -0.563
local terms energy: -130.376510
where:
bonds (distance) C4'-P energy: -34.351
bonds (distance) P-C4' energy: -36.328
flat angles C4'-P-C4' energy: -34.325
flat angles P-C4'-P energy: -27.200
tors. eta vs tors. theta energy: 1.827
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: 10
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -203.350338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.350338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.350338 (E_RNA)
where:
Base-Base interactions energy: -78.825
where: short stacking energy: -48.884
Base-Backbone interact. energy: -1.294
local terms energy: -123.230723
where:
bonds (distance) C4'-P energy: -42.421
bonds (distance) P-C4' energy: -34.803
flat angles C4'-P-C4' energy: -30.028
flat angles P-C4'-P energy: -15.869
tors. eta vs tors. theta energy: -0.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -172.823244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.823244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.823244 (E_RNA)
where:
Base-Base interactions energy: -71.456
where: short stacking energy: -61.734
Base-Backbone interact. energy: -0.614
local terms energy: -100.753376
where:
bonds (distance) C4'-P energy: -20.567
bonds (distance) P-C4' energy: -33.305
flat angles C4'-P-C4' energy: -22.692
flat angles P-C4'-P energy: -26.419
tors. eta vs tors. theta energy: 2.229
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: 1, replica: 4
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -663.297657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.297657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.297657 (E_RNA)
where:
Base-Base interactions energy: -462.165
where: short stacking energy: -195.364
Base-Backbone interact. energy: -0.886
local terms energy: -200.246908
where:
bonds (distance) C4'-P energy: -34.322
bonds (distance) P-C4' energy: -34.325
flat angles C4'-P-C4' energy: -39.448
flat angles P-C4'-P energy: -29.063
tors. eta vs tors. theta energy: -63.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -646.721214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.721214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.721214 (E_RNA)
where:
Base-Base interactions energy: -436.963
where: short stacking energy: -199.618
Base-Backbone interact. energy: -1.882
local terms energy: -207.876648
where:
bonds (distance) C4'-P energy: -37.331
bonds (distance) P-C4' energy: -33.511
flat angles C4'-P-C4' energy: -46.014
flat angles P-C4'-P energy: -30.976
tors. eta vs tors. theta energy: -60.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -595.459062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.459062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.459062 (E_RNA)
where:
Base-Base interactions energy: -390.686
where: short stacking energy: -189.715
Base-Backbone interact. energy: -0.904
local terms energy: -203.868387
where:
bonds (distance) C4'-P energy: -34.073
bonds (distance) P-C4' energy: -36.579
flat angles C4'-P-C4' energy: -43.182
flat angles P-C4'-P energy: -31.433
tors. eta vs tors. theta energy: -58.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -559.588844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.588844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.588844 (E_RNA)
where:
Base-Base interactions energy: -378.661
where: short stacking energy: -178.150
Base-Backbone interact. energy: -0.221
local terms energy: -180.706667
where:
bonds (distance) C4'-P energy: -31.290
bonds (distance) P-C4' energy: -36.218
flat angles C4'-P-C4' energy: -40.630
flat angles P-C4'-P energy: -22.929
tors. eta vs tors. theta energy: -49.639
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: 7
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -547.038736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.038736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.038736 (E_RNA)
where:
Base-Base interactions energy: -348.393
where: short stacking energy: -171.602
Base-Backbone interact. energy: -0.798
local terms energy: -197.848117
where:
bonds (distance) C4'-P energy: -39.999
bonds (distance) P-C4' energy: -36.201
flat angles C4'-P-C4' energy: -40.408
flat angles P-C4'-P energy: -25.508
tors. eta vs tors. theta energy: -55.733
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: 447
Temperature: 1.150000
Total energy: -509.772522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.772522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.772522 (E_RNA)
where:
Base-Base interactions energy: -330.900
where: short stacking energy: -138.290
Base-Backbone interact. energy: -0.319
local terms energy: -178.553841
where:
bonds (distance) C4'-P energy: -34.151
bonds (distance) P-C4' energy: -35.756
flat angles C4'-P-C4' energy: -43.724
flat angles P-C4'-P energy: -23.174
tors. eta vs tors. theta energy: -41.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -304.897908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.897908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.897908 (E_RNA)
where:
Base-Base interactions energy: -184.389
where: short stacking energy: -79.232
Base-Backbone interact. energy: -0.735
local terms energy: -119.774396
where:
bonds (distance) C4'-P energy: -26.683
bonds (distance) P-C4' energy: -34.928
flat angles C4'-P-C4' energy: -29.399
flat angles P-C4'-P energy: -16.407
tors. eta vs tors. theta energy: -12.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -220.390364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.390364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.390364 (E_RNA)
where:
Base-Base interactions energy: -113.394
where: short stacking energy: -72.060
Base-Backbone interact. energy: -0.524
local terms energy: -106.472231
where:
bonds (distance) C4'-P energy: -23.057
bonds (distance) P-C4' energy: -34.580
flat angles C4'-P-C4' energy: -25.064
flat angles P-C4'-P energy: -14.764
tors. eta vs tors. theta energy: -9.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -209.648783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.648783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.648783 (E_RNA)
where:
Base-Base interactions energy: -80.836
where: short stacking energy: -61.994
Base-Backbone interact. energy: 2.381
local terms energy: -131.194183
where:
bonds (distance) C4'-P energy: -36.913
bonds (distance) P-C4' energy: -45.627
flat angles C4'-P-C4' energy: -26.035
flat angles P-C4'-P energy: -15.490
tors. eta vs tors. theta energy: -7.130
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: 3
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -168.274512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.274512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.274512 (E_RNA)
where:
Base-Base interactions energy: -70.516
where: short stacking energy: -43.210
Base-Backbone interact. energy: -0.101
local terms energy: -97.658135
where:
bonds (distance) C4'-P energy: -36.580
bonds (distance) P-C4' energy: -33.359
flat angles C4'-P-C4' energy: -18.865
flat angles P-C4'-P energy: -15.907
tors. eta vs tors. theta energy: 7.053
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: 4
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -666.026285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.026285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.026285 (E_RNA)
where:
Base-Base interactions energy: -451.562
where: short stacking energy: -208.120
Base-Backbone interact. energy: -0.507
local terms energy: -213.956735
where:
bonds (distance) C4'-P energy: -34.150
bonds (distance) P-C4' energy: -37.087
flat angles C4'-P-C4' energy: -47.391
flat angles P-C4'-P energy: -31.180
tors. eta vs tors. theta energy: -64.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -646.282265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.282265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.282265 (E_RNA)
where:
Base-Base interactions energy: -427.045
where: short stacking energy: -192.490
Base-Backbone interact. energy: -2.058
local terms energy: -217.179196
where:
bonds (distance) C4'-P energy: -42.840
bonds (distance) P-C4' energy: -42.285
flat angles C4'-P-C4' energy: -40.303
flat angles P-C4'-P energy: -34.178
tors. eta vs tors. theta energy: -57.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -587.950182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.950182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.950182 (E_RNA)
where:
Base-Base interactions energy: -379.800
where: short stacking energy: -176.881
Base-Backbone interact. energy: -2.150
local terms energy: -206.000732
where:
bonds (distance) C4'-P energy: -32.927
bonds (distance) P-C4' energy: -36.244
flat angles C4'-P-C4' energy: -44.056
flat angles P-C4'-P energy: -37.119
tors. eta vs tors. theta energy: -55.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -563.636037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.636037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.636037 (E_RNA)
where:
Base-Base interactions energy: -365.266
where: short stacking energy: -174.923
Base-Backbone interact. energy: -0.316
local terms energy: -198.053536
where:
bonds (distance) C4'-P energy: -32.074
bonds (distance) P-C4' energy: -42.432
flat angles C4'-P-C4' energy: -42.586
flat angles P-C4'-P energy: -31.410
tors. eta vs tors. theta energy: -49.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -552.311595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.311595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.311595 (E_RNA)
where:
Base-Base interactions energy: -351.150
where: short stacking energy: -179.625
Base-Backbone interact. energy: -0.214
local terms energy: -200.948234
where:
bonds (distance) C4'-P energy: -37.225
bonds (distance) P-C4' energy: -40.641
flat angles C4'-P-C4' energy: -42.912
flat angles P-C4'-P energy: -26.599
tors. eta vs tors. theta energy: -53.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -532.846147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.846147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.846147 (E_RNA)
where:
Base-Base interactions energy: -344.224
where: short stacking energy: -138.030
Base-Backbone interact. energy: -1.642
local terms energy: -186.980366
where:
bonds (distance) C4'-P energy: -31.572
bonds (distance) P-C4' energy: -41.202
flat angles C4'-P-C4' energy: -40.087
flat angles P-C4'-P energy: -27.596
tors. eta vs tors. theta energy: -46.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -333.812321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.812321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.812321 (E_RNA)
where:
Base-Base interactions energy: -186.021
where: short stacking energy: -104.472
Base-Backbone interact. energy: -0.604
local terms energy: -147.187359
where:
bonds (distance) C4'-P energy: -35.857
bonds (distance) P-C4' energy: -24.345
flat angles C4'-P-C4' energy: -39.799
flat angles P-C4'-P energy: -30.806
tors. eta vs tors. theta energy: -16.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -225.362460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.362460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.362460 (E_RNA)
where:
Base-Base interactions energy: -114.235
where: short stacking energy: -69.033
Base-Backbone interact. energy: -1.165
local terms energy: -109.962208
where:
bonds (distance) C4'-P energy: -33.045
bonds (distance) P-C4' energy: -39.739
flat angles C4'-P-C4' energy: -18.061
flat angles P-C4'-P energy: -18.245
tors. eta vs tors. theta energy: -0.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -175.738142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.738142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.738142 (E_RNA)
where:
Base-Base interactions energy: -74.808
where: short stacking energy: -50.912
Base-Backbone interact. energy: -0.405
local terms energy: -100.525766
where:
bonds (distance) C4'-P energy: -24.744
bonds (distance) P-C4' energy: -34.188
flat angles C4'-P-C4' energy: -28.681
flat angles P-C4'-P energy: -16.726
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: 10, replica: 3
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -179.606972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.606972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.606972 (E_RNA)
where:
Base-Base interactions energy: -48.403
where: short stacking energy: -36.328
Base-Backbone interact. energy: -1.179
local terms energy: -130.025032
where:
bonds (distance) C4'-P energy: -32.179
bonds (distance) P-C4' energy: -35.528
flat angles C4'-P-C4' energy: -40.410
flat angles P-C4'-P energy: -15.705
tors. eta vs tors. theta energy: -6.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -678.816346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.816346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.816346 (E_RNA)
where:
Base-Base interactions energy: -450.544
where: short stacking energy: -202.883
Base-Backbone interact. energy: -3.754
local terms energy: -224.517993
where:
bonds (distance) C4'-P energy: -37.366
bonds (distance) P-C4' energy: -40.176
flat angles C4'-P-C4' energy: -45.450
flat angles P-C4'-P energy: -33.624
tors. eta vs tors. theta energy: -67.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -638.372105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.372105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.372105 (E_RNA)
where:
Base-Base interactions energy: -433.057
where: short stacking energy: -182.311
Base-Backbone interact. energy: -0.116
local terms energy: -205.199522
where:
bonds (distance) C4'-P energy: -41.131
bonds (distance) P-C4' energy: -32.513
flat angles C4'-P-C4' energy: -43.631
flat angles P-C4'-P energy: -29.659
tors. eta vs tors. theta energy: -58.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -607.489827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.489827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.489827 (E_RNA)
where:
Base-Base interactions energy: -387.231
where: short stacking energy: -190.517
Base-Backbone interact. energy: -0.345
local terms energy: -219.913701
where:
bonds (distance) C4'-P energy: -42.484
bonds (distance) P-C4' energy: -45.183
flat angles C4'-P-C4' energy: -39.008
flat angles P-C4'-P energy: -29.915
tors. eta vs tors. theta energy: -63.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -566.175057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.175057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.175057 (E_RNA)
where:
Base-Base interactions energy: -368.630
where: short stacking energy: -193.103
Base-Backbone interact. energy: -0.079
local terms energy: -197.465459
where:
bonds (distance) C4'-P energy: -36.172
bonds (distance) P-C4' energy: -45.584
flat angles C4'-P-C4' energy: -46.022
flat angles P-C4'-P energy: -15.888
tors. eta vs tors. theta energy: -53.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -564.226709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.226709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.226709 (E_RNA)
where:
Base-Base interactions energy: -361.121
where: short stacking energy: -173.148
Base-Backbone interact. energy: -1.415
local terms energy: -201.691302
where:
bonds (distance) C4'-P energy: -36.653
bonds (distance) P-C4' energy: -40.050
flat angles C4'-P-C4' energy: -44.235
flat angles P-C4'-P energy: -27.023
tors. eta vs tors. theta energy: -53.729
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: 1
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -567.304237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.304237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.304237 (E_RNA)
where:
Base-Base interactions energy: -371.627
where: short stacking energy: -156.172
Base-Backbone interact. energy: -0.129
local terms energy: -195.548373
where:
bonds (distance) C4'-P energy: -32.743
bonds (distance) P-C4' energy: -40.818
flat angles C4'-P-C4' energy: -40.944
flat angles P-C4'-P energy: -30.242
tors. eta vs tors. theta energy: -50.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -310.919546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.919546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.919546 (E_RNA)
where:
Base-Base interactions energy: -170.420
where: short stacking energy: -84.548
Base-Backbone interact. energy: -0.176
local terms energy: -140.323412
where:
bonds (distance) C4'-P energy: -26.943
bonds (distance) P-C4' energy: -33.866
flat angles C4'-P-C4' energy: -37.036
flat angles P-C4'-P energy: -35.486
tors. eta vs tors. theta energy: -6.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -201.295079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.295079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.295079 (E_RNA)
where:
Base-Base interactions energy: -77.954
where: short stacking energy: -42.765
Base-Backbone interact. energy: 3.026
local terms energy: -126.366559
where:
bonds (distance) C4'-P energy: -36.542
bonds (distance) P-C4' energy: -41.953
flat angles C4'-P-C4' energy: -29.376
flat angles P-C4'-P energy: -21.980
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: 10
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -194.101604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.101604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.101604 (E_RNA)
where:
Base-Base interactions energy: -68.097
where: short stacking energy: -63.376
Base-Backbone interact. energy: -0.572
local terms energy: -125.432979
where:
bonds (distance) C4'-P energy: -23.805
bonds (distance) P-C4' energy: -39.912
flat angles C4'-P-C4' energy: -34.609
flat angles P-C4'-P energy: -20.830
tors. eta vs tors. theta energy: -6.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -183.001732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.001732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.001732 (E_RNA)
where:
Base-Base interactions energy: -65.729
where: short stacking energy: -43.926
Base-Backbone interact. energy: -0.247
local terms energy: -117.026070
where:
bonds (distance) C4'-P energy: -28.487
bonds (distance) P-C4' energy: -42.203
flat angles C4'-P-C4' energy: -26.087
flat angles P-C4'-P energy: -20.505
tors. eta vs tors. theta energy: 0.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -671.805275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.805275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.805275 (E_RNA)
where:
Base-Base interactions energy: -448.530
where: short stacking energy: -203.786
Base-Backbone interact. energy: -0.701
local terms energy: -222.574400
where:
bonds (distance) C4'-P energy: -38.422
bonds (distance) P-C4' energy: -41.783
flat angles C4'-P-C4' energy: -41.730
flat angles P-C4'-P energy: -36.658
tors. eta vs tors. theta energy: -63.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -660.080872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.080872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.080872 (E_RNA)
where:
Base-Base interactions energy: -448.138
where: short stacking energy: -196.247
Base-Backbone interact. energy: -0.514
local terms energy: -211.428275
where:
bonds (distance) C4'-P energy: -41.519
bonds (distance) P-C4' energy: -39.183
flat angles C4'-P-C4' energy: -46.552
flat angles P-C4'-P energy: -26.727
tors. eta vs tors. theta energy: -57.447
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: 3, replica: 8
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -610.561465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.561465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.561465 (E_RNA)
where:
Base-Base interactions energy: -405.858
where: short stacking energy: -192.015
Base-Backbone interact. energy: -0.249
local terms energy: -204.455002
where:
bonds (distance) C4'-P energy: -26.603
bonds (distance) P-C4' energy: -42.628
flat angles C4'-P-C4' energy: -44.456
flat angles P-C4'-P energy: -30.802
tors. eta vs tors. theta energy: -59.967
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: 7
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -561.614116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.614116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.614116 (E_RNA)
where:
Base-Base interactions energy: -366.327
where: short stacking energy: -170.703
Base-Backbone interact. energy: -0.148
local terms energy: -195.138613
where:
bonds (distance) C4'-P energy: -40.017
bonds (distance) P-C4' energy: -39.133
flat angles C4'-P-C4' energy: -43.058
flat angles P-C4'-P energy: -26.353
tors. eta vs tors. theta energy: -46.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -577.403608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.403608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.403608 (E_RNA)
where:
Base-Base interactions energy: -377.585
where: short stacking energy: -159.649
Base-Backbone interact. energy: -0.768
local terms energy: -199.050503
where:
bonds (distance) C4'-P energy: -38.703
bonds (distance) P-C4' energy: -39.568
flat angles C4'-P-C4' energy: -42.263
flat angles P-C4'-P energy: -28.119
tors. eta vs tors. theta energy: -50.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -544.466675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.466675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.466675 (E_RNA)
where:
Base-Base interactions energy: -349.405
where: short stacking energy: -165.356
Base-Backbone interact. energy: -0.631
local terms energy: -194.430793
where:
bonds (distance) C4'-P energy: -36.506
bonds (distance) P-C4' energy: -43.586
flat angles C4'-P-C4' energy: -36.482
flat angles P-C4'-P energy: -24.863
tors. eta vs tors. theta energy: -52.994
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: 6
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -305.062437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.062437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.062437 (E_RNA)
where:
Base-Base interactions energy: -171.524
where: short stacking energy: -101.830
Base-Backbone interact. energy: 1.531
local terms energy: -135.069431
where:
bonds (distance) C4'-P energy: -27.655
bonds (distance) P-C4' energy: -38.957
flat angles C4'-P-C4' energy: -30.319
flat angles P-C4'-P energy: -21.681
tors. eta vs tors. theta energy: -16.458
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: 5
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -206.302983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.302983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.302983 (E_RNA)
where:
Base-Base interactions energy: -95.451
where: short stacking energy: -60.553
Base-Backbone interact. energy: -2.086
local terms energy: -108.765997
where:
bonds (distance) C4'-P energy: -33.017
bonds (distance) P-C4' energy: -38.802
flat angles C4'-P-C4' energy: -23.616
flat angles P-C4'-P energy: -16.207
tors. eta vs tors. theta energy: 2.877
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: 3
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -187.631643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.631643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.631643 (E_RNA)
where:
Base-Base interactions energy: -83.742
where: short stacking energy: -68.771
Base-Backbone interact. energy: -1.176
local terms energy: -102.713913
where:
bonds (distance) C4'-P energy: -31.725
bonds (distance) P-C4' energy: -30.769
flat angles C4'-P-C4' energy: -32.138
flat angles P-C4'-P energy: -14.072
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: 10
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -175.804646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.804646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.804646 (E_RNA)
where:
Base-Base interactions energy: -69.884
where: short stacking energy: -48.494
Base-Backbone interact. energy: -0.592
local terms energy: -105.328852
where:
bonds (distance) C4'-P energy: -25.896
bonds (distance) P-C4' energy: -41.308
flat angles C4'-P-C4' energy: -23.474
flat angles P-C4'-P energy: -13.688
tors. eta vs tors. theta energy: -0.963
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: 4
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -661.320646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.320646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.320646 (E_RNA)
where:
Base-Base interactions energy: -443.255
where: short stacking energy: -196.357
Base-Backbone interact. energy: -0.699
local terms energy: -217.366856
where:
bonds (distance) C4'-P energy: -39.460
bonds (distance) P-C4' energy: -46.083
flat angles C4'-P-C4' energy: -39.653
flat angles P-C4'-P energy: -28.439
tors. eta vs tors. theta energy: -63.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -643.373558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.373558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.373558 (E_RNA)
where:
Base-Base interactions energy: -435.518
where: short stacking energy: -199.501
Base-Backbone interact. energy: 0.438
local terms energy: -208.293867
where:
bonds (distance) C4'-P energy: -39.501
bonds (distance) P-C4' energy: -37.862
flat angles C4'-P-C4' energy: -40.445
flat angles P-C4'-P energy: -28.687
tors. eta vs tors. theta energy: -61.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -615.430846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.430846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.430846 (E_RNA)
where:
Base-Base interactions energy: -405.481
where: short stacking energy: -196.346
Base-Backbone interact. energy: -0.361
local terms energy: -209.587922
where:
bonds (distance) C4'-P energy: -36.058
bonds (distance) P-C4' energy: -36.903
flat angles C4'-P-C4' energy: -41.002
flat angles P-C4'-P energy: -30.838
tors. eta vs tors. theta energy: -64.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -605.515291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.515291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.515291 (E_RNA)
where:
Base-Base interactions energy: -408.782
where: short stacking energy: -176.354
Base-Backbone interact. energy: -0.277
local terms energy: -196.455738
where:
bonds (distance) C4'-P energy: -37.342
bonds (distance) P-C4' energy: -27.639
flat angles C4'-P-C4' energy: -35.186
flat angles P-C4'-P energy: -35.657
tors. eta vs tors. theta energy: -60.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -548.522459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.522459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.522459 (E_RNA)
where:
Base-Base interactions energy: -343.225
where: short stacking energy: -164.119
Base-Backbone interact. energy: -0.572
local terms energy: -204.725423
where:
bonds (distance) C4'-P energy: -37.593
bonds (distance) P-C4' energy: -44.918
flat angles C4'-P-C4' energy: -42.144
flat angles P-C4'-P energy: -29.290
tors. eta vs tors. theta energy: -50.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -538.586876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.586876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.586876 (E_RNA)
where:
Base-Base interactions energy: -350.995
where: short stacking energy: -157.251
Base-Backbone interact. energy: -0.567
local terms energy: -187.025211
where:
bonds (distance) C4'-P energy: -34.532
bonds (distance) P-C4' energy: -42.471
flat angles C4'-P-C4' energy: -28.532
flat angles P-C4'-P energy: -32.434
tors. eta vs tors. theta energy: -49.056
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: 6
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -306.292279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.292279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.292279 (E_RNA)
where:
Base-Base interactions energy: -173.060
where: short stacking energy: -82.375
Base-Backbone interact. energy: 3.013
local terms energy: -136.245037
where:
bonds (distance) C4'-P energy: -35.322
bonds (distance) P-C4' energy: -35.129
flat angles C4'-P-C4' energy: -27.432
flat angles P-C4'-P energy: -20.901
tors. eta vs tors. theta energy: -17.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -188.685992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.685992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.685992 (E_RNA)
where:
Base-Base interactions energy: -65.711
where: short stacking energy: -52.316
Base-Backbone interact. energy: 2.756
local terms energy: -125.730852
where:
bonds (distance) C4'-P energy: -34.762
bonds (distance) P-C4' energy: -40.607
flat angles C4'-P-C4' energy: -27.812
flat angles P-C4'-P energy: -14.463
tors. eta vs tors. theta energy: -8.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -178.497112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.497112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.497112 (E_RNA)
where:
Base-Base interactions energy: -61.636
where: short stacking energy: -47.465
Base-Backbone interact. energy: 0.653
local terms energy: -117.513855
where:
bonds (distance) C4'-P energy: -28.444
bonds (distance) P-C4' energy: -33.905
flat angles C4'-P-C4' energy: -32.540
flat angles P-C4'-P energy: -16.861
tors. eta vs tors. theta energy: -5.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -171.773790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.773790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.773790 (E_RNA)
where:
Base-Base interactions energy: -65.577
where: short stacking energy: -58.923
Base-Backbone interact. energy: 2.050
local terms energy: -108.246767
where:
bonds (distance) C4'-P energy: -27.593
bonds (distance) P-C4' energy: -36.195
flat angles C4'-P-C4' energy: -21.465
flat angles P-C4'-P energy: -13.371
tors. eta vs tors. theta energy: -9.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -674.576341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.576341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.576341 (E_RNA)
where:
Base-Base interactions energy: -445.570
where: short stacking energy: -205.815
Base-Backbone interact. energy: -1.439
local terms energy: -227.567777
where:
bonds (distance) C4'-P energy: -40.400
bonds (distance) P-C4' energy: -36.323
flat angles C4'-P-C4' energy: -48.834
flat angles P-C4'-P energy: -35.994
tors. eta vs tors. theta energy: -66.016
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: 2, replica: 2
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -631.640929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.640929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.640929 (E_RNA)
where:
Base-Base interactions energy: -421.721
where: short stacking energy: -187.165
Base-Backbone interact. energy: -0.351
local terms energy: -209.569085
where:
bonds (distance) C4'-P energy: -32.139
bonds (distance) P-C4' energy: -41.327
flat angles C4'-P-C4' energy: -46.258
flat angles P-C4'-P energy: -31.520
tors. eta vs tors. theta energy: -58.324
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: 1
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -608.765486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.765486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.765486 (E_RNA)
where:
Base-Base interactions energy: -422.349
where: short stacking energy: -172.729
Base-Backbone interact. energy: -0.389
local terms energy: -186.027138
where:
bonds (distance) C4'-P energy: -32.044
bonds (distance) P-C4' energy: -29.040
flat angles C4'-P-C4' energy: -43.930
flat angles P-C4'-P energy: -31.631
tors. eta vs tors. theta energy: -49.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -587.915626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.915626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.915626 (E_RNA)
where:
Base-Base interactions energy: -380.566
where: short stacking energy: -202.277
Base-Backbone interact. energy: -0.040
local terms energy: -207.309625
where:
bonds (distance) C4'-P energy: -30.956
bonds (distance) P-C4' energy: -39.698
flat angles C4'-P-C4' energy: -41.609
flat angles P-C4'-P energy: -28.688
tors. eta vs tors. theta energy: -66.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -548.261815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.261815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.261815 (E_RNA)
where:
Base-Base interactions energy: -350.618
where: short stacking energy: -169.920
Base-Backbone interact. energy: -1.856
local terms energy: -195.787350
where:
bonds (distance) C4'-P energy: -32.683
bonds (distance) P-C4' energy: -41.224
flat angles C4'-P-C4' energy: -45.308
flat angles P-C4'-P energy: -24.854
tors. eta vs tors. theta energy: -51.718
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: 9
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -526.013671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.013671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.013671 (E_RNA)
where:
Base-Base interactions energy: -332.748
where: short stacking energy: -151.738
Base-Backbone interact. energy: -0.660
local terms energy: -192.606103
where:
bonds (distance) C4'-P energy: -44.294
bonds (distance) P-C4' energy: -39.212
flat angles C4'-P-C4' energy: -41.593
flat angles P-C4'-P energy: -27.489
tors. eta vs tors. theta energy: -40.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -213.421232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.421232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.421232 (E_RNA)
where:
Base-Base interactions energy: -84.394
where: short stacking energy: -61.839
Base-Backbone interact. energy: -0.983
local terms energy: -128.044091
where:
bonds (distance) C4'-P energy: -33.021
bonds (distance) P-C4' energy: -36.239
flat angles C4'-P-C4' energy: -33.584
flat angles P-C4'-P energy: -25.095
tors. eta vs tors. theta energy: -0.105
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: 8, replica: 6
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -298.805027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.805027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.805027 (E_RNA)
where:
Base-Base interactions energy: -156.588
where: short stacking energy: -84.794
Base-Backbone interact. energy: -1.447
local terms energy: -140.769342
where:
bonds (distance) C4'-P energy: -38.262
bonds (distance) P-C4' energy: -39.723
flat angles C4'-P-C4' energy: -38.594
flat angles P-C4'-P energy: -13.831
tors. eta vs tors. theta energy: -10.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -197.610482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.610482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.610482 (E_RNA)
where:
Base-Base interactions energy: -76.248
where: short stacking energy: -56.182
Base-Backbone interact. energy: 1.593
local terms energy: -122.955312
where:
bonds (distance) C4'-P energy: -41.181
bonds (distance) P-C4' energy: -29.082
flat angles C4'-P-C4' energy: -30.651
flat angles P-C4'-P energy: -15.950
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: 10
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -175.261765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.261765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.261765 (E_RNA)
where:
Base-Base interactions energy: -61.313
where: short stacking energy: -56.127
Base-Backbone interact. energy: -0.215
local terms energy: -113.734238
where:
bonds (distance) C4'-P energy: -30.188
bonds (distance) P-C4' energy: -40.910
flat angles C4'-P-C4' energy: -23.884
flat angles P-C4'-P energy: -18.094
tors. eta vs tors. theta energy: -0.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -668.347541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.347541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.347541 (E_RNA)
where:
Base-Base interactions energy: -449.132
where: short stacking energy: -203.204
Base-Backbone interact. energy: -0.750
local terms energy: -218.465656
where:
bonds (distance) C4'-P energy: -31.812
bonds (distance) P-C4' energy: -43.222
flat angles C4'-P-C4' energy: -49.994
flat angles P-C4'-P energy: -34.003
tors. eta vs tors. theta energy: -59.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -629.610495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.610495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.610495 (E_RNA)
where:
Base-Base interactions energy: -423.542
where: short stacking energy: -184.730
Base-Backbone interact. energy: 0.130
local terms energy: -206.198443
where:
bonds (distance) C4'-P energy: -40.869
bonds (distance) P-C4' energy: -35.543
flat angles C4'-P-C4' energy: -41.337
flat angles P-C4'-P energy: -33.138
tors. eta vs tors. theta energy: -55.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -621.139227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.139227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.139227 (E_RNA)
where:
Base-Base interactions energy: -421.050
where: short stacking energy: -181.312
Base-Backbone interact. energy: -0.340
local terms energy: -199.749893
where:
bonds (distance) C4'-P energy: -37.478
bonds (distance) P-C4' energy: -41.247
flat angles C4'-P-C4' energy: -44.081
flat angles P-C4'-P energy: -18.303
tors. eta vs tors. theta energy: -58.640
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: 4, replica: 8
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -605.272249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.272249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.272249 (E_RNA)
where:
Base-Base interactions energy: -398.301
where: short stacking energy: -187.944
Base-Backbone interact. energy: -0.281
local terms energy: -206.690045
where:
bonds (distance) C4'-P energy: -34.010
bonds (distance) P-C4' energy: -37.289
flat angles C4'-P-C4' energy: -42.400
flat angles P-C4'-P energy: -30.415
tors. eta vs tors. theta energy: -62.576
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: 7
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -576.529904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.529904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.529904 (E_RNA)
where:
Base-Base interactions energy: -371.841
where: short stacking energy: -184.666
Base-Backbone interact. energy: -0.209
local terms energy: -204.480636
where:
bonds (distance) C4'-P energy: -37.129
bonds (distance) P-C4' energy: -37.415
flat angles C4'-P-C4' energy: -41.679
flat angles P-C4'-P energy: -26.709
tors. eta vs tors. theta energy: -61.549
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: 6, replica: 9
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -537.425436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.425436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.425436 (E_RNA)
where:
Base-Base interactions energy: -343.972
where: short stacking energy: -149.405
Base-Backbone interact. energy: -0.121
local terms energy: -193.332134
where:
bonds (distance) C4'-P energy: -42.468
bonds (distance) P-C4' energy: -39.535
flat angles C4'-P-C4' energy: -37.848
flat angles P-C4'-P energy: -27.905
tors. eta vs tors. theta energy: -45.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -260.767932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.767932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.767932 (E_RNA)
where:
Base-Base interactions energy: -129.086
where: short stacking energy: -82.989
Base-Backbone interact. energy: -0.642
local terms energy: -131.040522
where:
bonds (distance) C4'-P energy: -27.948
bonds (distance) P-C4' energy: -37.894
flat angles C4'-P-C4' energy: -26.776
flat angles P-C4'-P energy: -23.623
tors. eta vs tors. theta energy: -14.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -214.262556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.262556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.262556 (E_RNA)
where:
Base-Base interactions energy: -92.506
where: short stacking energy: -54.096
Base-Backbone interact. energy: -0.729
local terms energy: -121.027341
where:
bonds (distance) C4'-P energy: -30.376
bonds (distance) P-C4' energy: -40.258
flat angles C4'-P-C4' energy: -24.528
flat angles P-C4'-P energy: -22.315
tors. eta vs tors. theta energy: -3.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -274.382144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.382144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.382144 (E_RNA)
where:
Base-Base interactions energy: -145.567
where: short stacking energy: -75.081
Base-Backbone interact. energy: -2.573
local terms energy: -126.242113
where:
bonds (distance) C4'-P energy: -39.395
bonds (distance) P-C4' energy: -31.111
flat angles C4'-P-C4' energy: -25.292
flat angles P-C4'-P energy: -26.105
tors. eta vs tors. theta energy: -4.340
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: 10
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -200.350109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.350109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.350109 (E_RNA)
where:
Base-Base interactions energy: -68.382
where: short stacking energy: -58.891
Base-Backbone interact. energy: -0.411
local terms energy: -131.556926
where:
bonds (distance) C4'-P energy: -38.222
bonds (distance) P-C4' energy: -38.455
flat angles C4'-P-C4' energy: -31.507
flat angles P-C4'-P energy: -17.836
tors. eta vs tors. theta energy: -5.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -664.691918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.691918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.691918 (E_RNA)
where:
Base-Base interactions energy: -441.356
where: short stacking energy: -213.668
Base-Backbone interact. energy: -0.212
local terms energy: -223.123808
where:
bonds (distance) C4'-P energy: -40.946
bonds (distance) P-C4' energy: -38.115
flat angles C4'-P-C4' energy: -46.050
flat angles P-C4'-P energy: -30.393
tors. eta vs tors. theta energy: -67.619
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: 1
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -640.255717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.255717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.255717 (E_RNA)
where:
Base-Base interactions energy: -432.539
where: short stacking energy: -191.470
Base-Backbone interact. energy: 0.654
local terms energy: -208.370378
where:
bonds (distance) C4'-P energy: -26.303
bonds (distance) P-C4' energy: -42.949
flat angles C4'-P-C4' energy: -46.334
flat angles P-C4'-P energy: -38.194
tors. eta vs tors. theta energy: -54.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -626.219665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.219665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.219665 (E_RNA)
where:
Base-Base interactions energy: -417.267
where: short stacking energy: -176.120
Base-Backbone interact. energy: -0.701
local terms energy: -208.251697
where:
bonds (distance) C4'-P energy: -36.519
bonds (distance) P-C4' energy: -45.432
flat angles C4'-P-C4' energy: -41.336
flat angles P-C4'-P energy: -32.727
tors. eta vs tors. theta energy: -52.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -582.388641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.388641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.388641 (E_RNA)
where:
Base-Base interactions energy: -390.676
where: short stacking energy: -172.726
Base-Backbone interact. energy: -0.681
local terms energy: -191.032158
where:
bonds (distance) C4'-P energy: -32.195
bonds (distance) P-C4' energy: -35.548
flat angles C4'-P-C4' energy: -39.790
flat angles P-C4'-P energy: -31.241
tors. eta vs tors. theta energy: -52.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -549.459486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.459486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.459486 (E_RNA)
where:
Base-Base interactions energy: -353.800
where: short stacking energy: -176.256
Base-Backbone interact. energy: -0.289
local terms energy: -195.370502
where:
bonds (distance) C4'-P energy: -42.490
bonds (distance) P-C4' energy: -35.241
flat angles C4'-P-C4' energy: -40.245
flat angles P-C4'-P energy: -25.168
tors. eta vs tors. theta energy: -52.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -548.334603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.334603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.334603 (E_RNA)
where:
Base-Base interactions energy: -354.144
where: short stacking energy: -154.369
Base-Backbone interact. energy: 1.005
local terms energy: -195.195242
where:
bonds (distance) C4'-P energy: -42.737
bonds (distance) P-C4' energy: -37.295
flat angles C4'-P-C4' energy: -41.938
flat angles P-C4'-P energy: -24.340
tors. eta vs tors. theta energy: -48.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -255.945277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.945277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.945277 (E_RNA)
where:
Base-Base interactions energy: -128.478
where: short stacking energy: -70.651
Base-Backbone interact. energy: 1.940
local terms energy: -129.406951
where:
bonds (distance) C4'-P energy: -42.249
bonds (distance) P-C4' energy: -32.080
flat angles C4'-P-C4' energy: -26.948
flat angles P-C4'-P energy: -25.848
tors. eta vs tors. theta energy: -2.282
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: 5
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -206.020808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.020808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.020808 (E_RNA)
where:
Base-Base interactions energy: -87.294
where: short stacking energy: -53.597
Base-Backbone interact. energy: 2.540
local terms energy: -121.266308
where:
bonds (distance) C4'-P energy: -34.669
bonds (distance) P-C4' energy: -37.134
flat angles C4'-P-C4' energy: -39.253
flat angles P-C4'-P energy: -14.328
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: 9, replica: 6
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -274.165155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.165155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.165155 (E_RNA)
where:
Base-Base interactions energy: -165.506
where: short stacking energy: -89.043
Base-Backbone interact. energy: 0.996
local terms energy: -109.655565
where:
bonds (distance) C4'-P energy: -36.716
bonds (distance) P-C4' energy: -30.715
flat angles C4'-P-C4' energy: -29.317
flat angles P-C4'-P energy: -13.758
tors. eta vs tors. theta energy: 0.851
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: 454
Temperature: 1.350000
Total energy: -176.324962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.324962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.324962 (E_RNA)
where:
Base-Base interactions energy: -73.606
where: short stacking energy: -44.684
Base-Backbone interact. energy: -1.443
local terms energy: -101.276696
where:
bonds (distance) C4'-P energy: -33.025
bonds (distance) P-C4' energy: -30.224
flat angles C4'-P-C4' energy: -24.543
flat angles P-C4'-P energy: -16.130
tors. eta vs tors. theta energy: 2.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -663.521709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.521709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.521709 (E_RNA)
where:
Base-Base interactions energy: -454.617
where: short stacking energy: -192.070
Base-Backbone interact. energy: -1.126
local terms energy: -207.778932
where:
bonds (distance) C4'-P energy: -38.956
bonds (distance) P-C4' energy: -37.586
flat angles C4'-P-C4' energy: -42.455
flat angles P-C4'-P energy: -31.761
tors. eta vs tors. theta energy: -57.020
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: 1
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -646.668722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.668722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.668722 (E_RNA)
where:
Base-Base interactions energy: -428.434
where: short stacking energy: -185.902
Base-Backbone interact. energy: -0.538
local terms energy: -217.697011
where:
bonds (distance) C4'-P energy: -34.236
bonds (distance) P-C4' energy: -47.095
flat angles C4'-P-C4' energy: -43.201
flat angles P-C4'-P energy: -35.665
tors. eta vs tors. theta energy: -57.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -620.939733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.939733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.939733 (E_RNA)
where:
Base-Base interactions energy: -426.278
where: short stacking energy: -181.709
Base-Backbone interact. energy: 0.191
local terms energy: -194.853227
where:
bonds (distance) C4'-P energy: -31.158
bonds (distance) P-C4' energy: -37.853
flat angles C4'-P-C4' energy: -37.800
flat angles P-C4'-P energy: -32.737
tors. eta vs tors. theta energy: -55.305
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: 7
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -579.852559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.852559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.852559 (E_RNA)
where:
Base-Base interactions energy: -382.478
where: short stacking energy: -184.171
Base-Backbone interact. energy: -0.371
local terms energy: -197.003040
where:
bonds (distance) C4'-P energy: -30.845
bonds (distance) P-C4' energy: -37.110
flat angles C4'-P-C4' energy: -45.517
flat angles P-C4'-P energy: -27.823
tors. eta vs tors. theta energy: -55.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -579.057014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.057014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.057014 (E_RNA)
where:
Base-Base interactions energy: -378.362
where: short stacking energy: -184.774
Base-Backbone interact. energy: -0.066
local terms energy: -200.628371
where:
bonds (distance) C4'-P energy: -43.572
bonds (distance) P-C4' energy: -37.591
flat angles C4'-P-C4' energy: -38.016
flat angles P-C4'-P energy: -26.293
tors. eta vs tors. theta energy: -55.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -549.475382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.475382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.475382 (E_RNA)
where:
Base-Base interactions energy: -362.005
where: short stacking energy: -167.303
Base-Backbone interact. energy: 0.606
local terms energy: -188.077098
where:
bonds (distance) C4'-P energy: -32.422
bonds (distance) P-C4' energy: -38.599
flat angles C4'-P-C4' energy: -41.580
flat angles P-C4'-P energy: -27.228
tors. eta vs tors. theta energy: -48.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -270.762957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.762957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.762957 (E_RNA)
where:
Base-Base interactions energy: -132.142
where: short stacking energy: -73.433
Base-Backbone interact. energy: 2.709
local terms energy: -141.330022
where:
bonds (distance) C4'-P energy: -33.893
bonds (distance) P-C4' energy: -39.378
flat angles C4'-P-C4' energy: -31.364
flat angles P-C4'-P energy: -18.627
tors. eta vs tors. theta energy: -18.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -298.307994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.307994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.307994 (E_RNA)
where:
Base-Base interactions energy: -162.354
where: short stacking energy: -76.921
Base-Backbone interact. energy: 1.270
local terms energy: -137.223446
where:
bonds (distance) C4'-P energy: -27.844
bonds (distance) P-C4' energy: -36.584
flat angles C4'-P-C4' energy: -35.857
flat angles P-C4'-P energy: -27.141
tors. eta vs tors. theta energy: -9.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -216.264426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.264426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.264426 (E_RNA)
where:
Base-Base interactions energy: -104.981
where: short stacking energy: -71.681
Base-Backbone interact. energy: -0.891
local terms energy: -110.392178
where:
bonds (distance) C4'-P energy: -30.923
bonds (distance) P-C4' energy: -29.636
flat angles C4'-P-C4' energy: -33.678
flat angles P-C4'-P energy: -8.438
tors. eta vs tors. theta energy: -7.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -166.580902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.580902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.580902 (E_RNA)
where:
Base-Base interactions energy: -63.937
where: short stacking energy: -53.054
Base-Backbone interact. energy: 0.192
local terms energy: -102.836588
where:
bonds (distance) C4'-P energy: -33.411
bonds (distance) P-C4' energy: -40.723
flat angles C4'-P-C4' energy: -31.034
flat angles P-C4'-P energy: -2.407
tors. eta vs tors. theta energy: 4.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -649.353395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.353395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.353395 (E_RNA)
where:
Base-Base interactions energy: -436.444
where: short stacking energy: -194.051
Base-Backbone interact. energy: -1.513
local terms energy: -211.396465
where:
bonds (distance) C4'-P energy: -41.968
bonds (distance) P-C4' energy: -36.907
flat angles C4'-P-C4' energy: -40.944
flat angles P-C4'-P energy: -33.815
tors. eta vs tors. theta energy: -57.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -654.848189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.848189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.848189 (E_RNA)
where:
Base-Base interactions energy: -445.881
where: short stacking energy: -189.484
Base-Backbone interact. energy: 2.266
local terms energy: -211.233784
where:
bonds (distance) C4'-P energy: -35.924
bonds (distance) P-C4' energy: -44.409
flat angles C4'-P-C4' energy: -42.210
flat angles P-C4'-P energy: -31.174
tors. eta vs tors. theta energy: -57.516
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: 2
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -613.196699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.196699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.196699 (E_RNA)
where:
Base-Base interactions energy: -410.175
where: short stacking energy: -177.772
Base-Backbone interact. energy: -0.020
local terms energy: -203.001087
where:
bonds (distance) C4'-P energy: -38.589
bonds (distance) P-C4' energy: -40.199
flat angles C4'-P-C4' energy: -38.131
flat angles P-C4'-P energy: -28.456
tors. eta vs tors. theta energy: -57.626
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: 4, replica: 7
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -577.001487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.001487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.001487 (E_RNA)
where:
Base-Base interactions energy: -380.437
where: short stacking energy: -185.698
Base-Backbone interact. energy: -0.847
local terms energy: -195.717303
where:
bonds (distance) C4'-P energy: -31.427
bonds (distance) P-C4' energy: -39.339
flat angles C4'-P-C4' energy: -39.049
flat angles P-C4'-P energy: -31.086
tors. eta vs tors. theta energy: -54.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -564.873698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.873698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.873698 (E_RNA)
where:
Base-Base interactions energy: -382.505
where: short stacking energy: -167.075
Base-Backbone interact. energy: -0.470
local terms energy: -181.899156
where:
bonds (distance) C4'-P energy: -35.945
bonds (distance) P-C4' energy: -27.303
flat angles C4'-P-C4' energy: -39.633
flat angles P-C4'-P energy: -28.513
tors. eta vs tors. theta energy: -50.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -552.623721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.623721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.623721 (E_RNA)
where:
Base-Base interactions energy: -360.074
where: short stacking energy: -161.319
Base-Backbone interact. energy: -1.860
local terms energy: -190.689395
where:
bonds (distance) C4'-P energy: -43.549
bonds (distance) P-C4' energy: -36.517
flat angles C4'-P-C4' energy: -40.340
flat angles P-C4'-P energy: -22.284
tors. eta vs tors. theta energy: -47.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -328.704183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.704183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.704183 (E_RNA)
where:
Base-Base interactions energy: -168.097
where: short stacking energy: -87.061
Base-Backbone interact. energy: -0.973
local terms energy: -159.634539
where:
bonds (distance) C4'-P energy: -38.005
bonds (distance) P-C4' energy: -43.015
flat angles C4'-P-C4' energy: -37.647
flat angles P-C4'-P energy: -23.696
tors. eta vs tors. theta energy: -17.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -245.551223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.551223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.551223 (E_RNA)
where:
Base-Base interactions energy: -106.974
where: short stacking energy: -65.655
Base-Backbone interact. energy: -1.388
local terms energy: -137.189801
where:
bonds (distance) C4'-P energy: -36.838
bonds (distance) P-C4' energy: -41.205
flat angles C4'-P-C4' energy: -37.851
flat angles P-C4'-P energy: -17.481
tors. eta vs tors. theta energy: -3.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -172.962024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.962024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.962024 (E_RNA)
where:
Base-Base interactions energy: -61.628
where: short stacking energy: -46.114
Base-Backbone interact. energy: -0.819
local terms energy: -110.515156
where:
bonds (distance) C4'-P energy: -36.054
bonds (distance) P-C4' energy: -37.273
flat angles C4'-P-C4' energy: -19.987
flat angles P-C4'-P energy: -23.102
tors. eta vs tors. theta energy: 5.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -164.879749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.879749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.879749 (E_RNA)
where:
Base-Base interactions energy: -66.892
where: short stacking energy: -56.388
Base-Backbone interact. energy: 4.603
local terms energy: -102.590289
where:
bonds (distance) C4'-P energy: -28.220
bonds (distance) P-C4' energy: -34.920
flat angles C4'-P-C4' energy: -26.202
flat angles P-C4'-P energy: -11.250
tors. eta vs tors. theta energy: -1.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -664.012783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.012783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.012783 (E_RNA)
where:
Base-Base interactions energy: -450.625
where: short stacking energy: -199.072
Base-Backbone interact. energy: -0.148
local terms energy: -213.239804
where:
bonds (distance) C4'-P energy: -35.653
bonds (distance) P-C4' energy: -47.088
flat angles C4'-P-C4' energy: -42.735
flat angles P-C4'-P energy: -31.469
tors. eta vs tors. theta energy: -56.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -645.956328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.956328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.956328 (E_RNA)
where:
Base-Base interactions energy: -426.142
where: short stacking energy: -197.727
Base-Backbone interact. energy: -1.492
local terms energy: -218.322403
where:
bonds (distance) C4'-P energy: -36.655
bonds (distance) P-C4' energy: -42.844
flat angles C4'-P-C4' energy: -46.375
flat angles P-C4'-P energy: -34.322
tors. eta vs tors. theta energy: -58.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -623.671981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.671981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.671981 (E_RNA)
where:
Base-Base interactions energy: -430.456
where: short stacking energy: -187.082
Base-Backbone interact. energy: 0.155
local terms energy: -193.371353
where:
bonds (distance) C4'-P energy: -38.145
bonds (distance) P-C4' energy: -31.065
flat angles C4'-P-C4' energy: -33.264
flat angles P-C4'-P energy: -29.112
tors. eta vs tors. theta energy: -61.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -557.765409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.765409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.765409 (E_RNA)
where:
Base-Base interactions energy: -384.004
where: short stacking energy: -182.167
Base-Backbone interact. energy: -0.718
local terms energy: -173.043842
where:
bonds (distance) C4'-P energy: -36.826
bonds (distance) P-C4' energy: -26.625
flat angles C4'-P-C4' energy: -35.857
flat angles P-C4'-P energy: -21.674
tors. eta vs tors. theta energy: -52.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -564.472102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.472102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.472102 (E_RNA)
where:
Base-Base interactions energy: -368.112
where: short stacking energy: -179.525
Base-Backbone interact. energy: -0.119
local terms energy: -196.241202
where:
bonds (distance) C4'-P energy: -41.690
bonds (distance) P-C4' energy: -36.435
flat angles C4'-P-C4' energy: -37.591
flat angles P-C4'-P energy: -26.404
tors. eta vs tors. theta energy: -54.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -550.498725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.498725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.498725 (E_RNA)
where:
Base-Base interactions energy: -352.453
where: short stacking energy: -165.994
Base-Backbone interact. energy: -0.213
local terms energy: -197.833192
where:
bonds (distance) C4'-P energy: -35.650
bonds (distance) P-C4' energy: -34.234
flat angles C4'-P-C4' energy: -41.931
flat angles P-C4'-P energy: -31.101
tors. eta vs tors. theta energy: -54.916
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: 457
Temperature: 1.200000
Total energy: -347.201662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.201662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.201662 (E_RNA)
where:
Base-Base interactions energy: -196.790
where: short stacking energy: -91.440
Base-Backbone interact. energy: 1.688
local terms energy: -152.100418
where:
bonds (distance) C4'-P energy: -30.525
bonds (distance) P-C4' energy: -39.789
flat angles C4'-P-C4' energy: -39.944
flat angles P-C4'-P energy: -25.007
tors. eta vs tors. theta energy: -16.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -228.926556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.926556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.926556 (E_RNA)
where:
Base-Base interactions energy: -113.324
where: short stacking energy: -70.004
Base-Backbone interact. energy: -1.083
local terms energy: -114.519762
where:
bonds (distance) C4'-P energy: -24.663
bonds (distance) P-C4' energy: -37.941
flat angles C4'-P-C4' energy: -29.482
flat angles P-C4'-P energy: -15.990
tors. eta vs tors. theta energy: -6.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -191.039419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.039419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.039419 (E_RNA)
where:
Base-Base interactions energy: -63.367
where: short stacking energy: -61.345
Base-Backbone interact. energy: -0.926
local terms energy: -126.746261
where:
bonds (distance) C4'-P energy: -34.801
bonds (distance) P-C4' energy: -36.092
flat angles C4'-P-C4' energy: -30.279
flat angles P-C4'-P energy: -23.987
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: 457
Temperature: 1.350000
Total energy: -196.565872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.565872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.565872 (E_RNA)
where:
Base-Base interactions energy: -77.627
where: short stacking energy: -64.716
Base-Backbone interact. energy: -0.434
local terms energy: -118.505003
where:
bonds (distance) C4'-P energy: -34.713
bonds (distance) P-C4' energy: -28.008
flat angles C4'-P-C4' energy: -31.601
flat angles P-C4'-P energy: -20.068
tors. eta vs tors. theta energy: -4.115
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: 4
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -645.205339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.205339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.205339 (E_RNA)
where:
Base-Base interactions energy: -418.325
where: short stacking energy: -190.384
Base-Backbone interact. energy: -0.618
local terms energy: -226.263008
where:
bonds (distance) C4'-P energy: -46.697
bonds (distance) P-C4' energy: -45.747
flat angles C4'-P-C4' energy: -46.936
flat angles P-C4'-P energy: -31.176
tors. eta vs tors. theta energy: -55.707
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: 1
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -628.712323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.712323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.712323 (E_RNA)
where:
Base-Base interactions energy: -421.501
where: short stacking energy: -183.838
Base-Backbone interact. energy: -0.222
local terms energy: -206.988559
where:
bonds (distance) C4'-P energy: -36.241
bonds (distance) P-C4' energy: -35.004
flat angles C4'-P-C4' energy: -46.307
flat angles P-C4'-P energy: -32.532
tors. eta vs tors. theta energy: -56.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -635.084338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.084338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.084338 (E_RNA)
where:
Base-Base interactions energy: -434.575
where: short stacking energy: -193.196
Base-Backbone interact. energy: -0.089
local terms energy: -200.419946
where:
bonds (distance) C4'-P energy: -36.423
bonds (distance) P-C4' energy: -35.007
flat angles C4'-P-C4' energy: -36.191
flat angles P-C4'-P energy: -28.352
tors. eta vs tors. theta energy: -64.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -563.683051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.683051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.683051 (E_RNA)
where:
Base-Base interactions energy: -361.502
where: short stacking energy: -177.681
Base-Backbone interact. energy: -0.054
local terms energy: -202.126511
where:
bonds (distance) C4'-P energy: -37.740
bonds (distance) P-C4' energy: -38.720
flat angles C4'-P-C4' energy: -42.555
flat angles P-C4'-P energy: -29.870
tors. eta vs tors. theta energy: -53.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -564.163358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.163358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.163358 (E_RNA)
where:
Base-Base interactions energy: -367.090
where: short stacking energy: -171.523
Base-Backbone interact. energy: -0.976
local terms energy: -196.097398
where:
bonds (distance) C4'-P energy: -44.567
bonds (distance) P-C4' energy: -32.135
flat angles C4'-P-C4' energy: -40.028
flat angles P-C4'-P energy: -24.142
tors. eta vs tors. theta energy: -55.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -557.820193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.820193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.820193 (E_RNA)
where:
Base-Base interactions energy: -359.549
where: short stacking energy: -175.258
Base-Backbone interact. energy: -0.175
local terms energy: -198.095995
where:
bonds (distance) C4'-P energy: -32.481
bonds (distance) P-C4' energy: -37.449
flat angles C4'-P-C4' energy: -41.342
flat angles P-C4'-P energy: -28.011
tors. eta vs tors. theta energy: -58.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -327.270233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.270233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.270233 (E_RNA)
where:
Base-Base interactions energy: -185.032
where: short stacking energy: -75.506
Base-Backbone interact. energy: -1.194
local terms energy: -141.043807
where:
bonds (distance) C4'-P energy: -39.135
bonds (distance) P-C4' energy: -30.621
flat angles C4'-P-C4' energy: -32.305
flat angles P-C4'-P energy: -26.354
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: 8, replica: 3
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -206.989449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.989449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.989449 (E_RNA)
where:
Base-Base interactions energy: -89.364
where: short stacking energy: -58.411
Base-Backbone interact. energy: -0.300
local terms energy: -117.325639
where:
bonds (distance) C4'-P energy: -23.691
bonds (distance) P-C4' energy: -38.787
flat angles C4'-P-C4' energy: -31.834
flat angles P-C4'-P energy: -20.015
tors. eta vs tors. theta energy: -2.999
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: 458
Temperature: 1.300000
Total energy: -186.081201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.081201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.081201 (E_RNA)
where:
Base-Base interactions energy: -68.173
where: short stacking energy: -59.480
Base-Backbone interact. energy: 0.570
local terms energy: -118.478839
where:
bonds (distance) C4'-P energy: -30.450
bonds (distance) P-C4' energy: -39.049
flat angles C4'-P-C4' energy: -26.241
flat angles P-C4'-P energy: -24.398
tors. eta vs tors. theta energy: 1.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -169.986957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.986957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.986957 (E_RNA)
where:
Base-Base interactions energy: -53.327
where: short stacking energy: -39.667
Base-Backbone interact. energy: -0.353
local terms energy: -116.307485
where:
bonds (distance) C4'-P energy: -42.591
bonds (distance) P-C4' energy: -34.958
flat angles C4'-P-C4' energy: -23.339
flat angles P-C4'-P energy: -16.384
tors. eta vs tors. theta energy: 0.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -652.444038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.444038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.444038 (E_RNA)
where:
Base-Base interactions energy: -424.531
where: short stacking energy: -198.776
Base-Backbone interact. energy: -0.428
local terms energy: -227.484405
where:
bonds (distance) C4'-P energy: -45.031
bonds (distance) P-C4' energy: -44.249
flat angles C4'-P-C4' energy: -37.270
flat angles P-C4'-P energy: -32.590
tors. eta vs tors. theta energy: -68.345
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: 2, replica: 2
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -644.795736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.795736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.795736 (E_RNA)
where:
Base-Base interactions energy: -433.010
where: short stacking energy: -197.105
Base-Backbone interact. energy: -0.528
local terms energy: -211.257935
where:
bonds (distance) C4'-P energy: -35.932
bonds (distance) P-C4' energy: -41.230
flat angles C4'-P-C4' energy: -41.461
flat angles P-C4'-P energy: -31.120
tors. eta vs tors. theta energy: -61.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -614.159967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.159967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.159967 (E_RNA)
where:
Base-Base interactions energy: -403.227
where: short stacking energy: -175.110
Base-Backbone interact. energy: -1.138
local terms energy: -209.794542
where:
bonds (distance) C4'-P energy: -37.793
bonds (distance) P-C4' energy: -44.073
flat angles C4'-P-C4' energy: -40.311
flat angles P-C4'-P energy: -28.077
tors. eta vs tors. theta energy: -59.541
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: 7
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -550.804985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.804985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.804985 (E_RNA)
where:
Base-Base interactions energy: -345.833
where: short stacking energy: -175.711
Base-Backbone interact. energy: -0.174
local terms energy: -204.797702
where:
bonds (distance) C4'-P energy: -36.648
bonds (distance) P-C4' energy: -36.857
flat angles C4'-P-C4' energy: -44.560
flat angles P-C4'-P energy: -32.234
tors. eta vs tors. theta energy: -54.499
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: 9
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -581.651158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.651158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.651158 (E_RNA)
where:
Base-Base interactions energy: -378.511
where: short stacking energy: -176.581
Base-Backbone interact. energy: -0.293
local terms energy: -202.847741
where:
bonds (distance) C4'-P energy: -40.394
bonds (distance) P-C4' energy: -39.890
flat angles C4'-P-C4' energy: -42.435
flat angles P-C4'-P energy: -23.102
tors. eta vs tors. theta energy: -57.026
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: 8
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -560.337023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.337023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.337023 (E_RNA)
where:
Base-Base interactions energy: -359.830
where: short stacking energy: -175.829
Base-Backbone interact. energy: -1.263
local terms energy: -199.243753
where:
bonds (distance) C4'-P energy: -31.919
bonds (distance) P-C4' energy: -30.388
flat angles C4'-P-C4' energy: -42.685
flat angles P-C4'-P energy: -33.549
tors. eta vs tors. theta energy: -60.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -315.256159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.256159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.256159 (E_RNA)
where:
Base-Base interactions energy: -179.079
where: short stacking energy: -96.897
Base-Backbone interact. energy: -2.975
local terms energy: -133.201729
where:
bonds (distance) C4'-P energy: -31.076
bonds (distance) P-C4' energy: -40.279
flat angles C4'-P-C4' energy: -27.626
flat angles P-C4'-P energy: -19.970
tors. eta vs tors. theta energy: -14.251
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: 3
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -220.443023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.443023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.443023 (E_RNA)
where:
Base-Base interactions energy: -110.642
where: short stacking energy: -71.477
Base-Backbone interact. energy: 1.216
local terms energy: -111.016558
where:
bonds (distance) C4'-P energy: -27.252
bonds (distance) P-C4' energy: -39.817
flat angles C4'-P-C4' energy: -24.346
flat angles P-C4'-P energy: -21.603
tors. eta vs tors. theta energy: 2.002
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: 459
Temperature: 1.300000
Total energy: -187.732397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.732397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.732397 (E_RNA)
where:
Base-Base interactions energy: -75.632
where: short stacking energy: -53.235
Base-Backbone interact. energy: -0.359
local terms energy: -111.741613
where:
bonds (distance) C4'-P energy: -31.385
bonds (distance) P-C4' energy: -26.688
flat angles C4'-P-C4' energy: -34.418
flat angles P-C4'-P energy: -18.688
tors. eta vs tors. theta energy: -0.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -162.898801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.898801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.898801 (E_RNA)
where:
Base-Base interactions energy: -60.810
where: short stacking energy: -47.758
Base-Backbone interact. energy: 0.261
local terms energy: -102.348909
where:
bonds (distance) C4'-P energy: -29.882
bonds (distance) P-C4' energy: -32.230
flat angles C4'-P-C4' energy: -24.468
flat angles P-C4'-P energy: -11.163
tors. eta vs tors. theta energy: -4.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -647.233700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.233700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.233700 (E_RNA)
where:
Base-Base interactions energy: -438.408
where: short stacking energy: -195.348
Base-Backbone interact. energy: -0.328
local terms energy: -208.497906
where:
bonds (distance) C4'-P energy: -38.229
bonds (distance) P-C4' energy: -42.702
flat angles C4'-P-C4' energy: -36.664
flat angles P-C4'-P energy: -30.443
tors. eta vs tors. theta energy: -60.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -644.191562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.191562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.191562 (E_RNA)
where:
Base-Base interactions energy: -425.356
where: short stacking energy: -198.119
Base-Backbone interact. energy: -0.523
local terms energy: -218.313129
where:
bonds (distance) C4'-P energy: -42.341
bonds (distance) P-C4' energy: -40.750
flat angles C4'-P-C4' energy: -45.602
flat angles P-C4'-P energy: -29.199
tors. eta vs tors. theta energy: -60.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -624.814897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.814897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.814897 (E_RNA)
where:
Base-Base interactions energy: -427.711
where: short stacking energy: -176.314
Base-Backbone interact. energy: -1.000
local terms energy: -196.103931
where:
bonds (distance) C4'-P energy: -36.420
bonds (distance) P-C4' energy: -35.221
flat angles C4'-P-C4' energy: -38.243
flat angles P-C4'-P energy: -31.613
tors. eta vs tors. theta energy: -54.607
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: 7
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -572.789436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.789436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.789436 (E_RNA)
where:
Base-Base interactions energy: -383.862
where: short stacking energy: -182.625
Base-Backbone interact. energy: -0.358
local terms energy: -188.569817
where:
bonds (distance) C4'-P energy: -30.157
bonds (distance) P-C4' energy: -39.707
flat angles C4'-P-C4' energy: -33.009
flat angles P-C4'-P energy: -27.223
tors. eta vs tors. theta energy: -58.475
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: 9
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -566.288575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.288575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.288575 (E_RNA)
where:
Base-Base interactions energy: -364.165
where: short stacking energy: -170.141
Base-Backbone interact. energy: 1.179
local terms energy: -203.302285
where:
bonds (distance) C4'-P energy: -38.202
bonds (distance) P-C4' energy: -38.840
flat angles C4'-P-C4' energy: -45.923
flat angles P-C4'-P energy: -30.076
tors. eta vs tors. theta energy: -50.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -552.778148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.778148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.778148 (E_RNA)
where:
Base-Base interactions energy: -356.561
where: short stacking energy: -157.883
Base-Backbone interact. energy: -0.025
local terms energy: -196.192033
where:
bonds (distance) C4'-P energy: -35.269
bonds (distance) P-C4' energy: -35.564
flat angles C4'-P-C4' energy: -41.823
flat angles P-C4'-P energy: -26.628
tors. eta vs tors. theta energy: -56.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -312.593933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.593933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.593933 (E_RNA)
where:
Base-Base interactions energy: -186.136
where: short stacking energy: -94.093
Base-Backbone interact. energy: -2.459
local terms energy: -123.998836
where:
bonds (distance) C4'-P energy: -29.920
bonds (distance) P-C4' energy: -26.805
flat angles C4'-P-C4' energy: -34.165
flat angles P-C4'-P energy: -16.558
tors. eta vs tors. theta energy: -16.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -202.313425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.313425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.313425 (E_RNA)
where:
Base-Base interactions energy: -66.940
where: short stacking energy: -50.217
Base-Backbone interact. energy: 0.448
local terms energy: -135.821508
where:
bonds (distance) C4'-P energy: -35.339
bonds (distance) P-C4' energy: -38.165
flat angles C4'-P-C4' energy: -38.127
flat angles P-C4'-P energy: -22.868
tors. eta vs tors. theta energy: -1.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -196.285993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.285993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.285993 (E_RNA)
where:
Base-Base interactions energy: -79.358
where: short stacking energy: -47.756
Base-Backbone interact. energy: 0.079
local terms energy: -117.007212
where:
bonds (distance) C4'-P energy: -32.655
bonds (distance) P-C4' energy: -37.109
flat angles C4'-P-C4' energy: -35.708
flat angles P-C4'-P energy: -25.868
tors. eta vs tors. theta energy: 14.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -175.258662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.258662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.258662 (E_RNA)
where:
Base-Base interactions energy: -78.046
where: short stacking energy: -61.702
Base-Backbone interact. energy: 0.149
local terms energy: -97.361358
where:
bonds (distance) C4'-P energy: -24.897
bonds (distance) P-C4' energy: -37.688
flat angles C4'-P-C4' energy: -26.902
flat angles P-C4'-P energy: -9.280
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: 1, replica: 2
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -655.467015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.467015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.467015 (E_RNA)
where:
Base-Base interactions energy: -436.894
where: short stacking energy: -182.832
Base-Backbone interact. energy: -0.327
local terms energy: -218.246036
where:
bonds (distance) C4'-P energy: -44.952
bonds (distance) P-C4' energy: -40.774
flat angles C4'-P-C4' energy: -46.788
flat angles P-C4'-P energy: -24.055
tors. eta vs tors. theta energy: -61.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -654.731695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.731695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.731695 (E_RNA)
where:
Base-Base interactions energy: -442.017
where: short stacking energy: -191.327
Base-Backbone interact. energy: -0.370
local terms energy: -212.344655
where:
bonds (distance) C4'-P energy: -35.965
bonds (distance) P-C4' energy: -35.262
flat angles C4'-P-C4' energy: -44.012
flat angles P-C4'-P energy: -35.039
tors. eta vs tors. theta energy: -62.066
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: 1
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -601.190081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.190081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.190081 (E_RNA)
where:
Base-Base interactions energy: -396.284
where: short stacking energy: -166.437
Base-Backbone interact. energy: -1.466
local terms energy: -203.439905
where:
bonds (distance) C4'-P energy: -42.373
bonds (distance) P-C4' energy: -30.778
flat angles C4'-P-C4' energy: -44.468
flat angles P-C4'-P energy: -33.143
tors. eta vs tors. theta energy: -52.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -557.286711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.286711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.286711 (E_RNA)
where:
Base-Base interactions energy: -373.003
where: short stacking energy: -175.385
Base-Backbone interact. energy: 0.258
local terms energy: -184.541712
where:
bonds (distance) C4'-P energy: -33.273
bonds (distance) P-C4' energy: -34.854
flat angles C4'-P-C4' energy: -42.568
flat angles P-C4'-P energy: -28.208
tors. eta vs tors. theta energy: -45.638
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: 5, replica: 9
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -573.829689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.829689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.829689 (E_RNA)
where:
Base-Base interactions energy: -362.249
where: short stacking energy: -176.300
Base-Backbone interact. energy: -0.229
local terms energy: -211.351715
where:
bonds (distance) C4'-P energy: -39.868
bonds (distance) P-C4' energy: -37.949
flat angles C4'-P-C4' energy: -45.062
flat angles P-C4'-P energy: -33.573
tors. eta vs tors. theta energy: -54.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -572.691086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.691086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.691086 (E_RNA)
where:
Base-Base interactions energy: -382.296
where: short stacking energy: -191.043
Base-Backbone interact. energy: -1.437
local terms energy: -188.957937
where:
bonds (distance) C4'-P energy: -29.189
bonds (distance) P-C4' energy: -38.146
flat angles C4'-P-C4' energy: -42.346
flat angles P-C4'-P energy: -23.882
tors. eta vs tors. theta energy: -55.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -326.688934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.688934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.688934 (E_RNA)
where:
Base-Base interactions energy: -175.306
where: short stacking energy: -89.730
Base-Backbone interact. energy: -0.533
local terms energy: -150.849857
where:
bonds (distance) C4'-P energy: -35.100
bonds (distance) P-C4' energy: -46.946
flat angles C4'-P-C4' energy: -40.786
flat angles P-C4'-P energy: -22.450
tors. eta vs tors. theta energy: -5.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -201.416248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.416248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.416248 (E_RNA)
where:
Base-Base interactions energy: -83.685
where: short stacking energy: -69.852
Base-Backbone interact. energy: -0.636
local terms energy: -117.094938
where:
bonds (distance) C4'-P energy: -34.558
bonds (distance) P-C4' energy: -38.122
flat angles C4'-P-C4' energy: -20.971
flat angles P-C4'-P energy: -24.284
tors. eta vs tors. theta energy: 0.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -186.972470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.972470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.972470 (E_RNA)
where:
Base-Base interactions energy: -64.232
where: short stacking energy: -53.785
Base-Backbone interact. energy: 0.751
local terms energy: -123.491982
where:
bonds (distance) C4'-P energy: -32.283
bonds (distance) P-C4' energy: -34.938
flat angles C4'-P-C4' energy: -30.422
flat angles P-C4'-P energy: -21.209
tors. eta vs tors. theta energy: -4.640
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: 10
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -179.187751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.187751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.187751 (E_RNA)
where:
Base-Base interactions energy: -57.996
where: short stacking energy: -51.306
Base-Backbone interact. energy: -0.775
local terms energy: -120.416601
where:
bonds (distance) C4'-P energy: -32.721
bonds (distance) P-C4' energy: -38.630
flat angles C4'-P-C4' energy: -33.582
flat angles P-C4'-P energy: -14.541
tors. eta vs tors. theta energy: -0.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -650.616820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.616820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.616820 (E_RNA)
where:
Base-Base interactions energy: -426.421
where: short stacking energy: -194.039
Base-Backbone interact. energy: -1.265
local terms energy: -222.930652
where:
bonds (distance) C4'-P energy: -43.480
bonds (distance) P-C4' energy: -42.063
flat angles C4'-P-C4' energy: -45.686
flat angles P-C4'-P energy: -31.133
tors. eta vs tors. theta energy: -60.569
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: 2, replica: 4
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -632.302581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.302581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.302581 (E_RNA)
where:
Base-Base interactions energy: -412.580
where: short stacking energy: -190.754
Base-Backbone interact. energy: -0.574
local terms energy: -219.148488
where:
bonds (distance) C4'-P energy: -40.124
bonds (distance) P-C4' energy: -41.497
flat angles C4'-P-C4' energy: -47.368
flat angles P-C4'-P energy: -30.689
tors. eta vs tors. theta energy: -59.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -596.328121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.328121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.328121 (E_RNA)
where:
Base-Base interactions energy: -391.026
where: short stacking energy: -184.238
Base-Backbone interact. energy: -0.039
local terms energy: -205.262387
where:
bonds (distance) C4'-P energy: -30.608
bonds (distance) P-C4' energy: -38.526
flat angles C4'-P-C4' energy: -49.313
flat angles P-C4'-P energy: -31.214
tors. eta vs tors. theta energy: -55.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -574.464376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.464376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.464376 (E_RNA)
where:
Base-Base interactions energy: -370.310
where: short stacking energy: -157.465
Base-Backbone interact. energy: 0.373
local terms energy: -204.526781
where:
bonds (distance) C4'-P energy: -39.621
bonds (distance) P-C4' energy: -38.827
flat angles C4'-P-C4' energy: -42.267
flat angles P-C4'-P energy: -35.060
tors. eta vs tors. theta energy: -48.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -563.667053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.667053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.667053 (E_RNA)
where:
Base-Base interactions energy: -361.745
where: short stacking energy: -170.319
Base-Backbone interact. energy: 0.437
local terms energy: -202.359449
where:
bonds (distance) C4'-P energy: -33.216
bonds (distance) P-C4' energy: -40.364
flat angles C4'-P-C4' energy: -44.243
flat angles P-C4'-P energy: -30.916
tors. eta vs tors. theta energy: -53.620
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: 9
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -549.261046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.261046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.261046 (E_RNA)
where:
Base-Base interactions energy: -363.680
where: short stacking energy: -166.301
Base-Backbone interact. energy: 0.362
local terms energy: -185.943284
where:
bonds (distance) C4'-P energy: -42.579
bonds (distance) P-C4' energy: -33.660
flat angles C4'-P-C4' energy: -39.437
flat angles P-C4'-P energy: -22.874
tors. eta vs tors. theta energy: -47.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -316.571706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.571706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.571706 (E_RNA)
where:
Base-Base interactions energy: -173.028
where: short stacking energy: -86.763
Base-Backbone interact. energy: 1.229
local terms energy: -144.772450
where:
bonds (distance) C4'-P energy: -36.259
bonds (distance) P-C4' energy: -34.353
flat angles C4'-P-C4' energy: -37.037
flat angles P-C4'-P energy: -26.402
tors. eta vs tors. theta energy: -10.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -187.732257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.732257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.732257 (E_RNA)
where:
Base-Base interactions energy: -65.156
where: short stacking energy: -62.299
Base-Backbone interact. energy: -0.497
local terms energy: -122.079230
where:
bonds (distance) C4'-P energy: -31.571
bonds (distance) P-C4' energy: -26.851
flat angles C4'-P-C4' energy: -34.212
flat angles P-C4'-P energy: -25.889
tors. eta vs tors. theta energy: -3.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -177.137435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.137435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.137435 (E_RNA)
where:
Base-Base interactions energy: -48.260
where: short stacking energy: -44.151
Base-Backbone interact. energy: 0.281
local terms energy: -129.158832
where:
bonds (distance) C4'-P energy: -35.345
bonds (distance) P-C4' energy: -38.022
flat angles C4'-P-C4' energy: -33.625
flat angles P-C4'-P energy: -22.465
tors. eta vs tors. theta energy: 0.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -171.828005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.828005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.828005 (E_RNA)
where:
Base-Base interactions energy: -61.343
where: short stacking energy: -42.157
Base-Backbone interact. energy: -0.076
local terms energy: -110.409134
where:
bonds (distance) C4'-P energy: -23.024
bonds (distance) P-C4' energy: -41.797
flat angles C4'-P-C4' energy: -27.016
flat angles P-C4'-P energy: -22.569
tors. eta vs tors. theta energy: 3.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -666.296570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.296570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.296570 (E_RNA)
where:
Base-Base interactions energy: -454.921
where: short stacking energy: -195.477
Base-Backbone interact. energy: -1.234
local terms energy: -210.141712
where:
bonds (distance) C4'-P energy: -41.173
bonds (distance) P-C4' energy: -33.013
flat angles C4'-P-C4' energy: -50.672
flat angles P-C4'-P energy: -28.202
tors. eta vs tors. theta energy: -57.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -647.066078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.066078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.066078 (E_RNA)
where:
Base-Base interactions energy: -438.876
where: short stacking energy: -203.129
Base-Backbone interact. energy: -0.418
local terms energy: -207.772390
where:
bonds (distance) C4'-P energy: -36.095
bonds (distance) P-C4' energy: -35.178
flat angles C4'-P-C4' energy: -43.999
flat angles P-C4'-P energy: -31.991
tors. eta vs tors. theta energy: -60.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -599.276070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.276070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.276070 (E_RNA)
where:
Base-Base interactions energy: -390.050
where: short stacking energy: -191.797
Base-Backbone interact. energy: -0.073
local terms energy: -209.152593
where:
bonds (distance) C4'-P energy: -38.217
bonds (distance) P-C4' energy: -45.012
flat angles C4'-P-C4' energy: -39.198
flat angles P-C4'-P energy: -31.126
tors. eta vs tors. theta energy: -55.599
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: 4, replica: 8
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -589.553884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.553884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.553884 (E_RNA)
where:
Base-Base interactions energy: -386.052
where: short stacking energy: -182.201
Base-Backbone interact. energy: -0.122
local terms energy: -203.379771
where:
bonds (distance) C4'-P energy: -37.151
bonds (distance) P-C4' energy: -33.869
flat angles C4'-P-C4' energy: -40.045
flat angles P-C4'-P energy: -30.159
tors. eta vs tors. theta energy: -62.156
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: 5, replica: 1
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -563.232095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.232095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.232095 (E_RNA)
where:
Base-Base interactions energy: -374.278
where: short stacking energy: -162.485
Base-Backbone interact. energy: -0.849
local terms energy: -188.104674
where:
bonds (distance) C4'-P energy: -41.879
bonds (distance) P-C4' energy: -27.001
flat angles C4'-P-C4' energy: -42.040
flat angles P-C4'-P energy: -27.612
tors. eta vs tors. theta energy: -49.573
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: 9
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -542.799103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.799103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.799103 (E_RNA)
where:
Base-Base interactions energy: -350.528
where: short stacking energy: -173.074
Base-Backbone interact. energy: -0.845
local terms energy: -191.425931
where:
bonds (distance) C4'-P energy: -38.769
bonds (distance) P-C4' energy: -34.218
flat angles C4'-P-C4' energy: -43.735
flat angles P-C4'-P energy: -22.738
tors. eta vs tors. theta energy: -51.967
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: 6
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -288.273631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.273631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.273631 (E_RNA)
where:
Base-Base interactions energy: -140.402
where: short stacking energy: -73.279
Base-Backbone interact. energy: -1.156
local terms energy: -146.715726
where:
bonds (distance) C4'-P energy: -36.798
bonds (distance) P-C4' energy: -38.863
flat angles C4'-P-C4' energy: -34.891
flat angles P-C4'-P energy: -28.346
tors. eta vs tors. theta energy: -7.818
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: 3
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -192.360855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.360855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.360855 (E_RNA)
where:
Base-Base interactions energy: -67.989
where: short stacking energy: -64.038
Base-Backbone interact. energy: 2.755
local terms energy: -127.126331
where:
bonds (distance) C4'-P energy: -32.017
bonds (distance) P-C4' energy: -42.676
flat angles C4'-P-C4' energy: -32.722
flat angles P-C4'-P energy: -11.526
tors. eta vs tors. theta energy: -8.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -178.630042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.630042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.630042 (E_RNA)
where:
Base-Base interactions energy: -54.651
where: short stacking energy: -51.957
Base-Backbone interact. energy: -1.022
local terms energy: -122.957026
where:
bonds (distance) C4'-P energy: -40.558
bonds (distance) P-C4' energy: -36.031
flat angles C4'-P-C4' energy: -26.543
flat angles P-C4'-P energy: -18.747
tors. eta vs tors. theta energy: -1.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -158.763405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.763405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.763405 (E_RNA)
where:
Base-Base interactions energy: -53.755
where: short stacking energy: -40.982
Base-Backbone interact. energy: -1.666
local terms energy: -103.342098
where:
bonds (distance) C4'-P energy: -29.965
bonds (distance) P-C4' energy: -41.709
flat angles C4'-P-C4' energy: -19.702
flat angles P-C4'-P energy: -12.801
tors. eta vs tors. theta energy: 0.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -655.712402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.712402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.712402 (E_RNA)
where:
Base-Base interactions energy: -438.636
where: short stacking energy: -187.753
Base-Backbone interact. energy: -0.900
local terms energy: -216.176517
where:
bonds (distance) C4'-P energy: -35.847
bonds (distance) P-C4' energy: -44.055
flat angles C4'-P-C4' energy: -44.065
flat angles P-C4'-P energy: -32.814
tors. eta vs tors. theta energy: -59.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -646.076095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.076095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.076095 (E_RNA)
where:
Base-Base interactions energy: -434.055
where: short stacking energy: -196.965
Base-Backbone interact. energy: -0.728
local terms energy: -211.293225
where:
bonds (distance) C4'-P energy: -31.696
bonds (distance) P-C4' energy: -35.587
flat angles C4'-P-C4' energy: -48.487
flat angles P-C4'-P energy: -35.576
tors. eta vs tors. theta energy: -59.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -580.406900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.406900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.406900 (E_RNA)
where:
Base-Base interactions energy: -372.371
where: short stacking energy: -180.121
Base-Backbone interact. energy: -0.221
local terms energy: -207.815185
where:
bonds (distance) C4'-P energy: -40.442
bonds (distance) P-C4' energy: -37.996
flat angles C4'-P-C4' energy: -41.551
flat angles P-C4'-P energy: -36.242
tors. eta vs tors. theta energy: -51.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -580.266767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.266767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.266767 (E_RNA)
where:
Base-Base interactions energy: -387.696
where: short stacking energy: -182.867
Base-Backbone interact. energy: -1.101
local terms energy: -191.469649
where:
bonds (distance) C4'-P energy: -33.441
bonds (distance) P-C4' energy: -38.365
flat angles C4'-P-C4' energy: -44.363
flat angles P-C4'-P energy: -17.706
tors. eta vs tors. theta energy: -57.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -581.907335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.907335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.907335 (E_RNA)
where:
Base-Base interactions energy: -387.272
where: short stacking energy: -161.165
Base-Backbone interact. energy: -1.179
local terms energy: -193.456213
where:
bonds (distance) C4'-P energy: -36.577
bonds (distance) P-C4' energy: -41.307
flat angles C4'-P-C4' energy: -41.075
flat angles P-C4'-P energy: -23.374
tors. eta vs tors. theta energy: -51.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -539.866745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.866745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.866745 (E_RNA)
where:
Base-Base interactions energy: -359.748
where: short stacking energy: -172.393
Base-Backbone interact. energy: -0.662
local terms energy: -179.456461
where:
bonds (distance) C4'-P energy: -35.611
bonds (distance) P-C4' energy: -28.105
flat angles C4'-P-C4' energy: -37.789
flat angles P-C4'-P energy: -22.452
tors. eta vs tors. theta energy: -55.499
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: 6
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -331.104967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.104967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.104967 (E_RNA)
where:
Base-Base interactions energy: -189.941
where: short stacking energy: -109.578
Base-Backbone interact. energy: -0.388
local terms energy: -140.776647
where:
bonds (distance) C4'-P energy: -33.615
bonds (distance) P-C4' energy: -31.502
flat angles C4'-P-C4' energy: -32.499
flat angles P-C4'-P energy: -18.744
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: 8, replica: 3
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -196.122775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.122775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.122775 (E_RNA)
where:
Base-Base interactions energy: -67.893
where: short stacking energy: -47.373
Base-Backbone interact. energy: -0.626
local terms energy: -127.604509
where:
bonds (distance) C4'-P energy: -38.284
bonds (distance) P-C4' energy: -42.897
flat angles C4'-P-C4' energy: -33.319
flat angles P-C4'-P energy: -21.373
tors. eta vs tors. theta energy: 8.268
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: 9, replica: 5
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -182.383509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.383509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.383509 (E_RNA)
where:
Base-Base interactions energy: -58.185
where: short stacking energy: -56.613
Base-Backbone interact. energy: -0.776
local terms energy: -123.422310
where:
bonds (distance) C4'-P energy: -29.038
bonds (distance) P-C4' energy: -33.315
flat angles C4'-P-C4' energy: -33.593
flat angles P-C4'-P energy: -23.154
tors. eta vs tors. theta energy: -4.322
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: 10
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -176.642051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.642051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.642051 (E_RNA)
where:
Base-Base interactions energy: -45.772
where: short stacking energy: -45.397
Base-Backbone interact. energy: -1.253
local terms energy: -129.616831
where:
bonds (distance) C4'-P energy: -35.972
bonds (distance) P-C4' energy: -38.681
flat angles C4'-P-C4' energy: -31.749
flat angles P-C4'-P energy: -20.754
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: 1, replica: 2
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -641.755976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.755976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.755976 (E_RNA)
where:
Base-Base interactions energy: -426.015
where: short stacking energy: -181.533
Base-Backbone interact. energy: -1.052
local terms energy: -214.688699
where:
bonds (distance) C4'-P energy: -42.610
bonds (distance) P-C4' energy: -39.600
flat angles C4'-P-C4' energy: -45.300
flat angles P-C4'-P energy: -29.459
tors. eta vs tors. theta energy: -57.720
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: 4
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -646.185570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.185570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.185570 (E_RNA)
where:
Base-Base interactions energy: -433.762
where: short stacking energy: -207.644
Base-Backbone interact. energy: -1.731
local terms energy: -210.692672
where:
bonds (distance) C4'-P energy: -40.143
bonds (distance) P-C4' energy: -34.059
flat angles C4'-P-C4' energy: -47.038
flat angles P-C4'-P energy: -27.693
tors. eta vs tors. theta energy: -61.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -584.106697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.106697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.106697 (E_RNA)
where:
Base-Base interactions energy: -387.256
where: short stacking energy: -170.592
Base-Backbone interact. energy: -1.671
local terms energy: -195.178964
where:
bonds (distance) C4'-P energy: -38.879
bonds (distance) P-C4' energy: -32.991
flat angles C4'-P-C4' energy: -44.524
flat angles P-C4'-P energy: -25.594
tors. eta vs tors. theta energy: -53.192
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: 4, replica: 1
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -577.149733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.149733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.149733 (E_RNA)
where:
Base-Base interactions energy: -385.528
where: short stacking energy: -173.357
Base-Backbone interact. energy: 0.014
local terms energy: -191.635697
where:
bonds (distance) C4'-P energy: -32.738
bonds (distance) P-C4' energy: -38.768
flat angles C4'-P-C4' energy: -44.770
flat angles P-C4'-P energy: -23.254
tors. eta vs tors. theta energy: -52.107
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: 5, replica: 8
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -568.674752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.674752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.674752 (E_RNA)
where:
Base-Base interactions energy: -377.737
where: short stacking energy: -181.385
Base-Backbone interact. energy: -0.138
local terms energy: -190.799620
where:
bonds (distance) C4'-P energy: -42.359
bonds (distance) P-C4' energy: -32.255
flat angles C4'-P-C4' energy: -36.207
flat angles P-C4'-P energy: -27.377
tors. eta vs tors. theta energy: -52.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -550.001043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.001043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.001043 (E_RNA)
where:
Base-Base interactions energy: -362.126
where: short stacking energy: -172.016
Base-Backbone interact. energy: -0.292
local terms energy: -187.583082
where:
bonds (distance) C4'-P energy: -36.810
bonds (distance) P-C4' energy: -39.914
flat angles C4'-P-C4' energy: -39.642
flat angles P-C4'-P energy: -20.388
tors. eta vs tors. theta energy: -50.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -303.718221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.718221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.718221 (E_RNA)
where:
Base-Base interactions energy: -147.752
where: short stacking energy: -83.185
Base-Backbone interact. energy: 1.770
local terms energy: -157.736475
where:
bonds (distance) C4'-P energy: -32.617
bonds (distance) P-C4' energy: -32.601
flat angles C4'-P-C4' energy: -47.639
flat angles P-C4'-P energy: -23.661
tors. eta vs tors. theta energy: -21.218
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: 3
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -189.432223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.432223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.432223 (E_RNA)
where:
Base-Base interactions energy: -78.545
where: short stacking energy: -46.431
Base-Backbone interact. energy: -0.426
local terms energy: -110.460943
where:
bonds (distance) C4'-P energy: -30.266
bonds (distance) P-C4' energy: -36.948
flat angles C4'-P-C4' energy: -23.361
flat angles P-C4'-P energy: -15.934
tors. eta vs tors. theta energy: -3.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -175.516858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.516858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.516858 (E_RNA)
where:
Base-Base interactions energy: -65.963
where: short stacking energy: -55.085
Base-Backbone interact. energy: -0.842
local terms energy: -108.711021
where:
bonds (distance) C4'-P energy: -31.154
bonds (distance) P-C4' energy: -24.108
flat angles C4'-P-C4' energy: -35.824
flat angles P-C4'-P energy: -23.669
tors. eta vs tors. theta energy: 6.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -163.329768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.329768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.329768 (E_RNA)
where:
Base-Base interactions energy: -55.152
where: short stacking energy: -37.617
Base-Backbone interact. energy: 0.122
local terms energy: -108.299651
where:
bonds (distance) C4'-P energy: -35.904
bonds (distance) P-C4' energy: -22.517
flat angles C4'-P-C4' energy: -35.860
flat angles P-C4'-P energy: -16.818
tors. eta vs tors. theta energy: 2.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -657.377440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.377440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.377440 (E_RNA)
where:
Base-Base interactions energy: -443.625
where: short stacking energy: -195.078
Base-Backbone interact. energy: -1.400
local terms energy: -212.351967
where:
bonds (distance) C4'-P energy: -36.936
bonds (distance) P-C4' energy: -36.036
flat angles C4'-P-C4' energy: -44.418
flat angles P-C4'-P energy: -33.928
tors. eta vs tors. theta energy: -61.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -641.760681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.760681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.760681 (E_RNA)
where:
Base-Base interactions energy: -424.646
where: short stacking energy: -188.560
Base-Backbone interact. energy: -0.661
local terms energy: -216.454283
where:
bonds (distance) C4'-P energy: -40.426
bonds (distance) P-C4' energy: -40.167
flat angles C4'-P-C4' energy: -46.432
flat angles P-C4'-P energy: -29.003
tors. eta vs tors. theta energy: -60.426
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: 1
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -617.101948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.101948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.101948 (E_RNA)
where:
Base-Base interactions energy: -414.046
where: short stacking energy: -171.604
Base-Backbone interact. energy: -0.292
local terms energy: -202.763339
where:
bonds (distance) C4'-P energy: -38.812
bonds (distance) P-C4' energy: -38.867
flat angles C4'-P-C4' energy: -33.014
flat angles P-C4'-P energy: -32.057
tors. eta vs tors. theta energy: -60.014
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: 466
Temperature: 1.050000
Total energy: -586.290648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.290648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.290648 (E_RNA)
where:
Base-Base interactions energy: -385.051
where: short stacking energy: -184.186
Base-Backbone interact. energy: -0.938
local terms energy: -200.302352
where:
bonds (distance) C4'-P energy: -35.625
bonds (distance) P-C4' energy: -37.746
flat angles C4'-P-C4' energy: -39.745
flat angles P-C4'-P energy: -28.474
tors. eta vs tors. theta energy: -58.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -554.661493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.661493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.661493 (E_RNA)
where:
Base-Base interactions energy: -365.836
where: short stacking energy: -172.607
Base-Backbone interact. energy: -0.093
local terms energy: -188.732603
where:
bonds (distance) C4'-P energy: -33.162
bonds (distance) P-C4' energy: -35.679
flat angles C4'-P-C4' energy: -39.614
flat angles P-C4'-P energy: -27.582
tors. eta vs tors. theta energy: -52.696
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: 466
Temperature: 1.150000
Total energy: -565.871049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.871049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.871049 (E_RNA)
where:
Base-Base interactions energy: -373.694
where: short stacking energy: -189.606
Base-Backbone interact. energy: -0.867
local terms energy: -191.310145
where:
bonds (distance) C4'-P energy: -39.391
bonds (distance) P-C4' energy: -29.699
flat angles C4'-P-C4' energy: -40.306
flat angles P-C4'-P energy: -26.641
tors. eta vs tors. theta energy: -55.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -322.585813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.585813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.585813 (E_RNA)
where:
Base-Base interactions energy: -182.171
where: short stacking energy: -91.718
Base-Backbone interact. energy: -0.721
local terms energy: -139.693612
where:
bonds (distance) C4'-P energy: -34.626
bonds (distance) P-C4' energy: -34.474
flat angles C4'-P-C4' energy: -32.218
flat angles P-C4'-P energy: -29.730
tors. eta vs tors. theta energy: -8.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -195.149577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.149577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.149577 (E_RNA)
where:
Base-Base interactions energy: -66.602
where: short stacking energy: -48.078
Base-Backbone interact. energy: -0.979
local terms energy: -127.568652
where:
bonds (distance) C4'-P energy: -35.998
bonds (distance) P-C4' energy: -34.712
flat angles C4'-P-C4' energy: -38.514
flat angles P-C4'-P energy: -19.929
tors. eta vs tors. theta energy: 1.584
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: 9, replica: 10
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -203.074669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.074669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.074669 (E_RNA)
where:
Base-Base interactions energy: -97.075
where: short stacking energy: -57.520
Base-Backbone interact. energy: -0.052
local terms energy: -105.948114
where:
bonds (distance) C4'-P energy: -41.076
bonds (distance) P-C4' energy: -23.874
flat angles C4'-P-C4' energy: -22.890
flat angles P-C4'-P energy: -12.479
tors. eta vs tors. theta energy: -5.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -162.684573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.684573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.684573 (E_RNA)
where:
Base-Base interactions energy: -69.620
where: short stacking energy: -43.610
Base-Backbone interact. energy: -1.221
local terms energy: -91.843543
where:
bonds (distance) C4'-P energy: -31.274
bonds (distance) P-C4' energy: -31.854
flat angles C4'-P-C4' energy: -31.626
flat angles P-C4'-P energy: -4.662
tors. eta vs tors. theta energy: 7.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -671.837852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.837852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.837852 (E_RNA)
where:
Base-Base interactions energy: -454.867
where: short stacking energy: -216.040
Base-Backbone interact. energy: 0.232
local terms energy: -217.202837
where:
bonds (distance) C4'-P energy: -41.268
bonds (distance) P-C4' energy: -42.542
flat angles C4'-P-C4' energy: -42.776
flat angles P-C4'-P energy: -25.816
tors. eta vs tors. theta energy: -64.801
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: 1
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -633.927182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.927182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.927182 (E_RNA)
where:
Base-Base interactions energy: -422.146
where: short stacking energy: -185.643
Base-Backbone interact. energy: -1.042
local terms energy: -210.738639
where:
bonds (distance) C4'-P energy: -38.280
bonds (distance) P-C4' energy: -43.089
flat angles C4'-P-C4' energy: -37.866
flat angles P-C4'-P energy: -31.288
tors. eta vs tors. theta energy: -60.216
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: 2
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -614.047769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.047769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.047769 (E_RNA)
where:
Base-Base interactions energy: -424.802
where: short stacking energy: -175.785
Base-Backbone interact. energy: -0.145
local terms energy: -189.101566
where:
bonds (distance) C4'-P energy: -35.510
bonds (distance) P-C4' energy: -43.012
flat angles C4'-P-C4' energy: -44.707
flat angles P-C4'-P energy: -17.049
tors. eta vs tors. theta energy: -48.823
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: 7
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -574.429570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.429570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.429570 (E_RNA)
where:
Base-Base interactions energy: -387.074
where: short stacking energy: -177.798
Base-Backbone interact. energy: 0.382
local terms energy: -187.736981
where:
bonds (distance) C4'-P energy: -32.014
bonds (distance) P-C4' energy: -30.649
flat angles C4'-P-C4' energy: -41.204
flat angles P-C4'-P energy: -29.601
tors. eta vs tors. theta energy: -54.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -545.987005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.987005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.987005 (E_RNA)
where:
Base-Base interactions energy: -364.971
where: short stacking energy: -168.428
Base-Backbone interact. energy: -0.609
local terms energy: -180.406743
where:
bonds (distance) C4'-P energy: -31.834
bonds (distance) P-C4' energy: -39.214
flat angles C4'-P-C4' energy: -37.074
flat angles P-C4'-P energy: -28.157
tors. eta vs tors. theta energy: -44.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -546.115440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.115440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.115440 (E_RNA)
where:
Base-Base interactions energy: -359.148
where: short stacking energy: -153.492
Base-Backbone interact. energy: 0.460
local terms energy: -187.427479
where:
bonds (distance) C4'-P energy: -36.709
bonds (distance) P-C4' energy: -41.597
flat angles C4'-P-C4' energy: -43.471
flat angles P-C4'-P energy: -27.667
tors. eta vs tors. theta energy: -37.984
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: 6
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -323.442107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.442107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.442107 (E_RNA)
where:
Base-Base interactions energy: -180.781
where: short stacking energy: -96.687
Base-Backbone interact. energy: -0.573
local terms energy: -142.087453
where:
bonds (distance) C4'-P energy: -38.976
bonds (distance) P-C4' energy: -36.950
flat angles C4'-P-C4' energy: -37.182
flat angles P-C4'-P energy: -14.245
tors. eta vs tors. theta energy: -14.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -192.591094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.591094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.591094 (E_RNA)
where:
Base-Base interactions energy: -67.232
where: short stacking energy: -44.360
Base-Backbone interact. energy: -0.404
local terms energy: -124.954581
where:
bonds (distance) C4'-P energy: -37.304
bonds (distance) P-C4' energy: -30.996
flat angles C4'-P-C4' energy: -31.272
flat angles P-C4'-P energy: -22.143
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: 9, replica: 3
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -181.289768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.289768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.289768 (E_RNA)
where:
Base-Base interactions energy: -95.071
where: short stacking energy: -59.217
Base-Backbone interact. energy: -0.967
local terms energy: -85.252444
where:
bonds (distance) C4'-P energy: -27.043
bonds (distance) P-C4' energy: -35.685
flat angles C4'-P-C4' energy: -23.144
flat angles P-C4'-P energy: -10.017
tors. eta vs tors. theta energy: 10.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -178.642303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.642303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.642303 (E_RNA)
where:
Base-Base interactions energy: -58.658
where: short stacking energy: -45.204
Base-Backbone interact. energy: -1.519
local terms energy: -118.464845
where:
bonds (distance) C4'-P energy: -28.570
bonds (distance) P-C4' energy: -34.145
flat angles C4'-P-C4' energy: -33.763
flat angles P-C4'-P energy: -23.525
tors. eta vs tors. theta energy: 1.538
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: 4
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -673.108600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.108600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.108600 (E_RNA)
where:
Base-Base interactions energy: -445.615
where: short stacking energy: -200.743
Base-Backbone interact. energy: 0.091
local terms energy: -227.584592
where:
bonds (distance) C4'-P energy: -45.650
bonds (distance) P-C4' energy: -38.973
flat angles C4'-P-C4' energy: -50.566
flat angles P-C4'-P energy: -26.651
tors. eta vs tors. theta energy: -65.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -623.024836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.024836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.024836 (E_RNA)
where:
Base-Base interactions energy: -419.390
where: short stacking energy: -181.901
Base-Backbone interact. energy: -0.149
local terms energy: -203.485521
where:
bonds (distance) C4'-P energy: -43.308
bonds (distance) P-C4' energy: -33.360
flat angles C4'-P-C4' energy: -41.868
flat angles P-C4'-P energy: -27.392
tors. eta vs tors. theta energy: -57.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -580.789622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.789622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.789622 (E_RNA)
where:
Base-Base interactions energy: -382.984
where: short stacking energy: -173.791
Base-Backbone interact. energy: -1.430
local terms energy: -196.375333
where:
bonds (distance) C4'-P energy: -36.531
bonds (distance) P-C4' energy: -38.958
flat angles C4'-P-C4' energy: -38.136
flat angles P-C4'-P energy: -31.599
tors. eta vs tors. theta energy: -51.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -604.716895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.716895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.716895 (E_RNA)
where:
Base-Base interactions energy: -407.247
where: short stacking energy: -169.211
Base-Backbone interact. energy: -0.545
local terms energy: -196.924907
where:
bonds (distance) C4'-P energy: -35.670
bonds (distance) P-C4' energy: -39.536
flat angles C4'-P-C4' energy: -37.566
flat angles P-C4'-P energy: -31.676
tors. eta vs tors. theta energy: -52.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -555.976697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.976697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.976697 (E_RNA)
where:
Base-Base interactions energy: -357.037
where: short stacking energy: -175.954
Base-Backbone interact. energy: -0.887
local terms energy: -198.052789
where:
bonds (distance) C4'-P energy: -36.387
bonds (distance) P-C4' energy: -32.866
flat angles C4'-P-C4' energy: -35.174
flat angles P-C4'-P energy: -39.864
tors. eta vs tors. theta energy: -53.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -532.212506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.212506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.212506 (E_RNA)
where:
Base-Base interactions energy: -355.864
where: short stacking energy: -158.762
Base-Backbone interact. energy: -0.367
local terms energy: -175.981703
where:
bonds (distance) C4'-P energy: -32.199
bonds (distance) P-C4' energy: -32.036
flat angles C4'-P-C4' energy: -38.700
flat angles P-C4'-P energy: -25.218
tors. eta vs tors. theta energy: -47.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -351.053836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.053836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.053836 (E_RNA)
where:
Base-Base interactions energy: -198.405
where: short stacking energy: -94.296
Base-Backbone interact. energy: -0.352
local terms energy: -152.296455
where:
bonds (distance) C4'-P energy: -30.648
bonds (distance) P-C4' energy: -36.456
flat angles C4'-P-C4' energy: -36.743
flat angles P-C4'-P energy: -23.637
tors. eta vs tors. theta energy: -24.812
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: 8, replica: 10
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -216.681656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.681656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.681656 (E_RNA)
where:
Base-Base interactions energy: -93.973
where: short stacking energy: -72.192
Base-Backbone interact. energy: -0.432
local terms energy: -122.277075
where:
bonds (distance) C4'-P energy: -31.824
bonds (distance) P-C4' energy: -35.651
flat angles C4'-P-C4' energy: -25.224
flat angles P-C4'-P energy: -20.943
tors. eta vs tors. theta energy: -8.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -199.587821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.587821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.587821 (E_RNA)
where:
Base-Base interactions energy: -73.286
where: short stacking energy: -61.313
Base-Backbone interact. energy: -0.855
local terms energy: -125.446859
where:
bonds (distance) C4'-P energy: -33.885
bonds (distance) P-C4' energy: -37.482
flat angles C4'-P-C4' energy: -26.497
flat angles P-C4'-P energy: -21.080
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: 10, replica: 3
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -177.218611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.218611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.218611 (E_RNA)
where:
Base-Base interactions energy: -69.041
where: short stacking energy: -48.916
Base-Backbone interact. energy: -0.470
local terms energy: -107.707515
where:
bonds (distance) C4'-P energy: -25.149
bonds (distance) P-C4' energy: -40.612
flat angles C4'-P-C4' energy: -35.539
flat angles P-C4'-P energy: -15.919
tors. eta vs tors. theta energy: 9.511
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: 1, replica: 4
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -659.316829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.316829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.316829 (E_RNA)
where:
Base-Base interactions energy: -439.306
where: short stacking energy: -201.234
Base-Backbone interact. energy: 0.287
local terms energy: -220.298181
where:
bonds (distance) C4'-P energy: -41.774
bonds (distance) P-C4' energy: -39.690
flat angles C4'-P-C4' energy: -43.455
flat angles P-C4'-P energy: -33.791
tors. eta vs tors. theta energy: -61.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -630.910600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.910600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.910600 (E_RNA)
where:
Base-Base interactions energy: -409.134
where: short stacking energy: -179.810
Base-Backbone interact. energy: 0.748
local terms energy: -222.525053
where:
bonds (distance) C4'-P energy: -41.182
bonds (distance) P-C4' energy: -48.945
flat angles C4'-P-C4' energy: -43.003
flat angles P-C4'-P energy: -28.891
tors. eta vs tors. theta energy: -60.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -601.067089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.067089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.067089 (E_RNA)
where:
Base-Base interactions energy: -385.523
where: short stacking energy: -189.189
Base-Backbone interact. energy: -0.518
local terms energy: -215.026229
where:
bonds (distance) C4'-P energy: -37.960
bonds (distance) P-C4' energy: -42.061
flat angles C4'-P-C4' energy: -44.555
flat angles P-C4'-P energy: -30.364
tors. eta vs tors. theta energy: -60.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -612.894911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.894911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.894911 (E_RNA)
where:
Base-Base interactions energy: -408.701
where: short stacking energy: -170.569
Base-Backbone interact. energy: -0.418
local terms energy: -203.775915
where:
bonds (distance) C4'-P energy: -42.393
bonds (distance) P-C4' energy: -30.094
flat angles C4'-P-C4' energy: -45.048
flat angles P-C4'-P energy: -28.871
tors. eta vs tors. theta energy: -57.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -572.042789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.042789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.042789 (E_RNA)
where:
Base-Base interactions energy: -381.770
where: short stacking energy: -177.070
Base-Backbone interact. energy: -1.349
local terms energy: -188.923337
where:
bonds (distance) C4'-P energy: -29.811
bonds (distance) P-C4' energy: -42.522
flat angles C4'-P-C4' energy: -39.901
flat angles P-C4'-P energy: -26.715
tors. eta vs tors. theta energy: -49.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -528.453139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.453139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.453139 (E_RNA)
where:
Base-Base interactions energy: -335.554
where: short stacking energy: -152.377
Base-Backbone interact. energy: -0.315
local terms energy: -192.584409
where:
bonds (distance) C4'-P energy: -40.658
bonds (distance) P-C4' energy: -41.574
flat angles C4'-P-C4' energy: -39.388
flat angles P-C4'-P energy: -27.668
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: 7, replica: 6
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -369.408124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.408124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.408124 (E_RNA)
where:
Base-Base interactions energy: -232.885
where: short stacking energy: -110.187
Base-Backbone interact. energy: -1.446
local terms energy: -135.077327
where:
bonds (distance) C4'-P energy: -39.267
bonds (distance) P-C4' energy: -33.963
flat angles C4'-P-C4' energy: -25.386
flat angles P-C4'-P energy: -15.901
tors. eta vs tors. theta energy: -20.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -219.635358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.635358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.635358 (E_RNA)
where:
Base-Base interactions energy: -104.667
where: short stacking energy: -72.824
Base-Backbone interact. energy: -0.280
local terms energy: -114.687713
where:
bonds (distance) C4'-P energy: -33.196
bonds (distance) P-C4' energy: -34.037
flat angles C4'-P-C4' energy: -26.871
flat angles P-C4'-P energy: -17.583
tors. eta vs tors. theta energy: -3.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -174.978774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.978774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.978774 (E_RNA)
where:
Base-Base interactions energy: -63.633
where: short stacking energy: -51.739
Base-Backbone interact. energy: -0.458
local terms energy: -110.887949
where:
bonds (distance) C4'-P energy: -30.173
bonds (distance) P-C4' energy: -43.002
flat angles C4'-P-C4' energy: -25.529
flat angles P-C4'-P energy: -16.409
tors. eta vs tors. theta energy: 4.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -176.197917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.197917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.197917 (E_RNA)
where:
Base-Base interactions energy: -66.327
where: short stacking energy: -62.080
Base-Backbone interact. energy: -1.317
local terms energy: -108.554107
where:
bonds (distance) C4'-P energy: -22.768
bonds (distance) P-C4' energy: -32.115
flat angles C4'-P-C4' energy: -29.759
flat angles P-C4'-P energy: -17.888
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: 1, replica: 4
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -671.809105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.809105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.809105 (E_RNA)
where:
Base-Base interactions energy: -455.697
where: short stacking energy: -200.583
Base-Backbone interact. energy: -2.051
local terms energy: -214.061148
where:
bonds (distance) C4'-P energy: -43.977
bonds (distance) P-C4' energy: -43.893
flat angles C4'-P-C4' energy: -43.494
flat angles P-C4'-P energy: -25.824
tors. eta vs tors. theta energy: -56.872
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: 2, replica: 1
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -622.194061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.194061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.194061 (E_RNA)
where:
Base-Base interactions energy: -418.442
where: short stacking energy: -189.356
Base-Backbone interact. energy: -0.092
local terms energy: -203.660674
where:
bonds (distance) C4'-P energy: -36.423
bonds (distance) P-C4' energy: -38.152
flat angles C4'-P-C4' energy: -40.604
flat angles P-C4'-P energy: -26.263
tors. eta vs tors. theta energy: -62.218
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: 7
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -610.444384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.444384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.444384 (E_RNA)
where:
Base-Base interactions energy: -383.768
where: short stacking energy: -188.741
Base-Backbone interact. energy: -0.626
local terms energy: -226.050201
where:
bonds (distance) C4'-P energy: -44.648
bonds (distance) P-C4' energy: -40.167
flat angles C4'-P-C4' energy: -49.426
flat angles P-C4'-P energy: -32.294
tors. eta vs tors. theta energy: -59.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -613.778079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.778079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.778079 (E_RNA)
where:
Base-Base interactions energy: -421.145
where: short stacking energy: -181.349
Base-Backbone interact. energy: -0.814
local terms energy: -191.819039
where:
bonds (distance) C4'-P energy: -32.328
bonds (distance) P-C4' energy: -35.984
flat angles C4'-P-C4' energy: -41.512
flat angles P-C4'-P energy: -30.148
tors. eta vs tors. theta energy: -51.847
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: 9
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -547.838542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.838542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.838542 (E_RNA)
where:
Base-Base interactions energy: -341.622
where: short stacking energy: -162.035
Base-Backbone interact. energy: -0.440
local terms energy: -205.776465
where:
bonds (distance) C4'-P energy: -38.011
bonds (distance) P-C4' energy: -38.009
flat angles C4'-P-C4' energy: -46.106
flat angles P-C4'-P energy: -32.576
tors. eta vs tors. theta energy: -51.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -567.413601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.413601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.413601 (E_RNA)
where:
Base-Base interactions energy: -377.740
where: short stacking energy: -164.790
Base-Backbone interact. energy: -0.292
local terms energy: -189.381434
where:
bonds (distance) C4'-P energy: -32.737
bonds (distance) P-C4' energy: -38.701
flat angles C4'-P-C4' energy: -40.828
flat angles P-C4'-P energy: -29.739
tors. eta vs tors. theta energy: -47.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -312.730799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.730799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.730799 (E_RNA)
where:
Base-Base interactions energy: -174.825
where: short stacking energy: -102.314
Base-Backbone interact. energy: 0.459
local terms energy: -138.365111
where:
bonds (distance) C4'-P energy: -32.614
bonds (distance) P-C4' energy: -34.303
flat angles C4'-P-C4' energy: -27.602
flat angles P-C4'-P energy: -24.706
tors. eta vs tors. theta energy: -19.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -195.015392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.015392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.015392 (E_RNA)
where:
Base-Base interactions energy: -71.458
where: short stacking energy: -57.563
Base-Backbone interact. energy: 2.241
local terms energy: -125.798511
where:
bonds (distance) C4'-P energy: -38.488
bonds (distance) P-C4' energy: -33.256
flat angles C4'-P-C4' energy: -29.306
flat angles P-C4'-P energy: -19.979
tors. eta vs tors. theta energy: -4.770
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: 9, replica: 3
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -188.241791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.241791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.241791 (E_RNA)
where:
Base-Base interactions energy: -86.169
where: short stacking energy: -49.219
Base-Backbone interact. energy: -0.927
local terms energy: -101.145690
where:
bonds (distance) C4'-P energy: -31.572
bonds (distance) P-C4' energy: -35.381
flat angles C4'-P-C4' energy: -26.984
flat angles P-C4'-P energy: -14.527
tors. eta vs tors. theta energy: 7.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -168.406923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.406923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.406923 (E_RNA)
where:
Base-Base interactions energy: -56.453
where: short stacking energy: -42.463
Base-Backbone interact. energy: 0.091
local terms energy: -112.044481
where:
bonds (distance) C4'-P energy: -39.061
bonds (distance) P-C4' energy: -34.855
flat angles C4'-P-C4' energy: -23.599
flat angles P-C4'-P energy: -22.785
tors. eta vs tors. theta energy: 8.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -644.954948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.954948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.954948 (E_RNA)
where:
Base-Base interactions energy: -437.112
where: short stacking energy: -183.905
Base-Backbone interact. energy: -3.343
local terms energy: -204.499941
where:
bonds (distance) C4'-P energy: -43.171
bonds (distance) P-C4' energy: -34.942
flat angles C4'-P-C4' energy: -42.129
flat angles P-C4'-P energy: -31.829
tors. eta vs tors. theta energy: -52.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -636.322123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.322123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.322123 (E_RNA)
where:
Base-Base interactions energy: -424.825
where: short stacking energy: -190.578
Base-Backbone interact. energy: -0.983
local terms energy: -210.513985
where:
bonds (distance) C4'-P energy: -37.874
bonds (distance) P-C4' energy: -43.589
flat angles C4'-P-C4' energy: -39.499
flat angles P-C4'-P energy: -33.770
tors. eta vs tors. theta energy: -55.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -596.986203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.986203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.986203 (E_RNA)
where:
Base-Base interactions energy: -393.482
where: short stacking energy: -188.855
Base-Backbone interact. energy: 0.022
local terms energy: -203.525738
where:
bonds (distance) C4'-P energy: -39.437
bonds (distance) P-C4' energy: -39.396
flat angles C4'-P-C4' energy: -38.786
flat angles P-C4'-P energy: -30.806
tors. eta vs tors. theta energy: -55.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -570.686674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.686674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.686674 (E_RNA)
where:
Base-Base interactions energy: -374.169
where: short stacking energy: -180.337
Base-Backbone interact. energy: 0.298
local terms energy: -196.816123
where:
bonds (distance) C4'-P energy: -31.574
bonds (distance) P-C4' energy: -34.875
flat angles C4'-P-C4' energy: -43.675
flat angles P-C4'-P energy: -34.096
tors. eta vs tors. theta energy: -52.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -607.068057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.068057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.068057 (E_RNA)
where:
Base-Base interactions energy: -407.500
where: short stacking energy: -172.457
Base-Backbone interact. energy: -0.558
local terms energy: -199.010220
where:
bonds (distance) C4'-P energy: -43.518
bonds (distance) P-C4' energy: -32.445
flat angles C4'-P-C4' energy: -42.973
flat angles P-C4'-P energy: -27.739
tors. eta vs tors. theta energy: -52.335
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: 8
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -543.437864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.437864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.437864 (E_RNA)
where:
Base-Base interactions energy: -361.599
where: short stacking energy: -171.496
Base-Backbone interact. energy: -0.355
local terms energy: -181.483752
where:
bonds (distance) C4'-P energy: -31.941
bonds (distance) P-C4' energy: -35.694
flat angles C4'-P-C4' energy: -40.172
flat angles P-C4'-P energy: -26.697
tors. eta vs tors. theta energy: -46.980
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: 6
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -342.451369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.451369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.451369 (E_RNA)
where:
Base-Base interactions energy: -184.662
where: short stacking energy: -111.126
Base-Backbone interact. energy: -1.228
local terms energy: -156.561503
where:
bonds (distance) C4'-P energy: -34.459
bonds (distance) P-C4' energy: -38.407
flat angles C4'-P-C4' energy: -27.172
flat angles P-C4'-P energy: -24.332
tors. eta vs tors. theta energy: -32.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -202.506169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.506169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.506169 (E_RNA)
where:
Base-Base interactions energy: -64.870
where: short stacking energy: -55.934
Base-Backbone interact. energy: 0.301
local terms energy: -137.936863
where:
bonds (distance) C4'-P energy: -31.804
bonds (distance) P-C4' energy: -34.506
flat angles C4'-P-C4' energy: -37.056
flat angles P-C4'-P energy: -25.173
tors. eta vs tors. theta energy: -9.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -179.147369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.147369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.147369 (E_RNA)
where:
Base-Base interactions energy: -69.741
where: short stacking energy: -60.648
Base-Backbone interact. energy: 2.812
local terms energy: -112.218095
where:
bonds (distance) C4'-P energy: -32.541
bonds (distance) P-C4' energy: -32.721
flat angles C4'-P-C4' energy: -29.412
flat angles P-C4'-P energy: -12.366
tors. eta vs tors. theta energy: -5.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -169.896128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.896128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.896128 (E_RNA)
where:
Base-Base interactions energy: -59.254
where: short stacking energy: -53.297
Base-Backbone interact. energy: -0.179
local terms energy: -110.462920
where:
bonds (distance) C4'-P energy: -30.422
bonds (distance) P-C4' energy: -26.221
flat angles C4'-P-C4' energy: -32.809
flat angles P-C4'-P energy: -25.131
tors. eta vs tors. theta energy: 4.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -643.726759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.726759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.726759 (E_RNA)
where:
Base-Base interactions energy: -423.544
where: short stacking energy: -189.603
Base-Backbone interact. energy: -1.415
local terms energy: -218.767209
where:
bonds (distance) C4'-P energy: -38.479
bonds (distance) P-C4' energy: -44.519
flat angles C4'-P-C4' energy: -46.039
flat angles P-C4'-P energy: -32.883
tors. eta vs tors. theta energy: -56.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -649.962889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.962889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.962889 (E_RNA)
where:
Base-Base interactions energy: -437.912
where: short stacking energy: -188.887
Base-Backbone interact. energy: -0.438
local terms energy: -211.612863
where:
bonds (distance) C4'-P energy: -39.480
bonds (distance) P-C4' energy: -44.715
flat angles C4'-P-C4' energy: -39.571
flat angles P-C4'-P energy: -30.802
tors. eta vs tors. theta energy: -57.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -608.558119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.558119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.558119 (E_RNA)
where:
Base-Base interactions energy: -389.699
where: short stacking energy: -194.082
Base-Backbone interact. energy: -0.407
local terms energy: -218.452614
where:
bonds (distance) C4'-P energy: -37.282
bonds (distance) P-C4' energy: -38.947
flat angles C4'-P-C4' energy: -46.035
flat angles P-C4'-P energy: -28.940
tors. eta vs tors. theta energy: -67.249
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: 9
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -549.361619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.361619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.361619 (E_RNA)
where:
Base-Base interactions energy: -358.656
where: short stacking energy: -162.329
Base-Backbone interact. energy: -1.520
local terms energy: -189.185199
where:
bonds (distance) C4'-P energy: -34.605
bonds (distance) P-C4' energy: -37.655
flat angles C4'-P-C4' energy: -44.122
flat angles P-C4'-P energy: -26.490
tors. eta vs tors. theta energy: -46.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -566.383529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.383529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.383529 (E_RNA)
where:
Base-Base interactions energy: -379.648
where: short stacking energy: -158.827
Base-Backbone interact. energy: 0.433
local terms energy: -187.168442
where:
bonds (distance) C4'-P energy: -30.564
bonds (distance) P-C4' energy: -38.342
flat angles C4'-P-C4' energy: -39.335
flat angles P-C4'-P energy: -28.301
tors. eta vs tors. theta energy: -50.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -530.191976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.191976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.191976 (E_RNA)
where:
Base-Base interactions energy: -344.816
where: short stacking energy: -156.717
Base-Backbone interact. energy: -0.766
local terms energy: -184.610170
where:
bonds (distance) C4'-P energy: -36.495
bonds (distance) P-C4' energy: -37.242
flat angles C4'-P-C4' energy: -39.042
flat angles P-C4'-P energy: -25.700
tors. eta vs tors. theta energy: -46.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -341.282853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.282853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.282853 (E_RNA)
where:
Base-Base interactions energy: -195.605
where: short stacking energy: -105.257
Base-Backbone interact. energy: -0.203
local terms energy: -145.474546
where:
bonds (distance) C4'-P energy: -29.524
bonds (distance) P-C4' energy: -41.855
flat angles C4'-P-C4' energy: -34.065
flat angles P-C4'-P energy: -14.946
tors. eta vs tors. theta energy: -25.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -224.873448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.873448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.873448 (E_RNA)
where:
Base-Base interactions energy: -98.895
where: short stacking energy: -72.004
Base-Backbone interact. energy: -0.535
local terms energy: -125.443322
where:
bonds (distance) C4'-P energy: -33.625
bonds (distance) P-C4' energy: -33.715
flat angles C4'-P-C4' energy: -28.716
flat angles P-C4'-P energy: -18.011
tors. eta vs tors. theta energy: -11.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -175.942082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.942082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.942082 (E_RNA)
where:
Base-Base interactions energy: -61.178
where: short stacking energy: -46.909
Base-Backbone interact. energy: -0.812
local terms energy: -113.952550
where:
bonds (distance) C4'-P energy: -27.614
bonds (distance) P-C4' energy: -30.319
flat angles C4'-P-C4' energy: -40.619
flat angles P-C4'-P energy: -17.033
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: 472
Temperature: 1.350000
Total energy: -173.057680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.057680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.057680 (E_RNA)
where:
Base-Base interactions energy: -72.838
where: short stacking energy: -62.666
Base-Backbone interact. energy: -0.833
local terms energy: -99.386255
where:
bonds (distance) C4'-P energy: -23.689
bonds (distance) P-C4' energy: -28.112
flat angles C4'-P-C4' energy: -29.921
flat angles P-C4'-P energy: -18.165
tors. eta vs tors. theta energy: 0.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -664.561274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.561274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.561274 (E_RNA)
where:
Base-Base interactions energy: -442.810
where: short stacking energy: -190.774
Base-Backbone interact. energy: -0.370
local terms energy: -221.381790
where:
bonds (distance) C4'-P energy: -39.704
bonds (distance) P-C4' energy: -40.973
flat angles C4'-P-C4' energy: -49.060
flat angles P-C4'-P energy: -30.357
tors. eta vs tors. theta energy: -61.288
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: 1
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -640.734829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.734829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.734829 (E_RNA)
where:
Base-Base interactions energy: -432.687
where: short stacking energy: -188.095
Base-Backbone interact. energy: 0.283
local terms energy: -208.330675
where:
bonds (distance) C4'-P energy: -36.616
bonds (distance) P-C4' energy: -46.407
flat angles C4'-P-C4' energy: -40.549
flat angles P-C4'-P energy: -28.377
tors. eta vs tors. theta energy: -56.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -597.989002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.989002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.989002 (E_RNA)
where:
Base-Base interactions energy: -391.620
where: short stacking energy: -173.277
Base-Backbone interact. energy: -0.524
local terms energy: -205.844732
where:
bonds (distance) C4'-P energy: -43.293
bonds (distance) P-C4' energy: -38.956
flat angles C4'-P-C4' energy: -40.078
flat angles P-C4'-P energy: -35.028
tors. eta vs tors. theta energy: -48.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -570.636203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.636203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.636203 (E_RNA)
where:
Base-Base interactions energy: -390.839
where: short stacking energy: -164.736
Base-Backbone interact. energy: -0.037
local terms energy: -179.760809
where:
bonds (distance) C4'-P energy: -30.651
bonds (distance) P-C4' energy: -40.102
flat angles C4'-P-C4' energy: -37.815
flat angles P-C4'-P energy: -22.718
tors. eta vs tors. theta energy: -48.474
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: 5, replica: 9
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -545.115500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.115500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.115500 (E_RNA)
where:
Base-Base interactions energy: -369.659
where: short stacking energy: -178.759
Base-Backbone interact. energy: -0.308
local terms energy: -175.148479
where:
bonds (distance) C4'-P energy: -28.867
bonds (distance) P-C4' energy: -35.102
flat angles C4'-P-C4' energy: -41.222
flat angles P-C4'-P energy: -22.367
tors. eta vs tors. theta energy: -47.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -543.665449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.665449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.665449 (E_RNA)
where:
Base-Base interactions energy: -349.515
where: short stacking energy: -153.358
Base-Backbone interact. energy: -0.839
local terms energy: -193.311513
where:
bonds (distance) C4'-P energy: -39.403
bonds (distance) P-C4' energy: -36.730
flat angles C4'-P-C4' energy: -40.558
flat angles P-C4'-P energy: -32.382
tors. eta vs tors. theta energy: -44.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -310.696584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.696584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.696584 (E_RNA)
where:
Base-Base interactions energy: -186.261
where: short stacking energy: -102.776
Base-Backbone interact. energy: -0.922
local terms energy: -123.513714
where:
bonds (distance) C4'-P energy: -32.616
bonds (distance) P-C4' energy: -26.206
flat angles C4'-P-C4' energy: -32.952
flat angles P-C4'-P energy: -16.648
tors. eta vs tors. theta energy: -15.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -205.440528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.440528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.440528 (E_RNA)
where:
Base-Base interactions energy: -77.340
where: short stacking energy: -40.587
Base-Backbone interact. energy: 0.454
local terms energy: -128.554490
where:
bonds (distance) C4'-P energy: -37.680
bonds (distance) P-C4' energy: -45.241
flat angles C4'-P-C4' energy: -23.057
flat angles P-C4'-P energy: -16.451
tors. eta vs tors. theta energy: -6.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -191.804645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.804645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.804645 (E_RNA)
where:
Base-Base interactions energy: -65.610
where: short stacking energy: -46.056
Base-Backbone interact. energy: -0.999
local terms energy: -125.195495
where:
bonds (distance) C4'-P energy: -37.031
bonds (distance) P-C4' energy: -42.217
flat angles C4'-P-C4' energy: -35.393
flat angles P-C4'-P energy: -14.464
tors. eta vs tors. theta energy: 3.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -185.050257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.050257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.050257 (E_RNA)
where:
Base-Base interactions energy: -73.855
where: short stacking energy: -59.993
Base-Backbone interact. energy: -0.421
local terms energy: -110.774636
where:
bonds (distance) C4'-P energy: -34.281
bonds (distance) P-C4' energy: -35.259
flat angles C4'-P-C4' energy: -13.188
flat angles P-C4'-P energy: -21.063
tors. eta vs tors. theta energy: -6.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -658.141265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.141265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.141265 (E_RNA)
where:
Base-Base interactions energy: -432.380
where: short stacking energy: -191.950
Base-Backbone interact. energy: -0.173
local terms energy: -225.588441
where:
bonds (distance) C4'-P energy: -33.747
bonds (distance) P-C4' energy: -48.059
flat angles C4'-P-C4' energy: -43.419
flat angles P-C4'-P energy: -37.010
tors. eta vs tors. theta energy: -63.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -629.798578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.798578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.798578 (E_RNA)
where:
Base-Base interactions energy: -408.867
where: short stacking energy: -182.337
Base-Backbone interact. energy: 1.592
local terms energy: -222.524105
where:
bonds (distance) C4'-P energy: -42.238
bonds (distance) P-C4' energy: -40.586
flat angles C4'-P-C4' energy: -46.980
flat angles P-C4'-P energy: -35.755
tors. eta vs tors. theta energy: -56.965
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: 2
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -612.392186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.392186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.392186 (E_RNA)
where:
Base-Base interactions energy: -398.272
where: short stacking energy: -174.905
Base-Backbone interact. energy: -0.485
local terms energy: -213.635272
where:
bonds (distance) C4'-P energy: -42.229
bonds (distance) P-C4' energy: -39.990
flat angles C4'-P-C4' energy: -47.320
flat angles P-C4'-P energy: -29.623
tors. eta vs tors. theta energy: -54.473
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: 7
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -581.197002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.197002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.197002 (E_RNA)
where:
Base-Base interactions energy: -377.840
where: short stacking energy: -183.070
Base-Backbone interact. energy: -0.076
local terms energy: -203.280822
where:
bonds (distance) C4'-P energy: -38.474
bonds (distance) P-C4' energy: -42.134
flat angles C4'-P-C4' energy: -41.663
flat angles P-C4'-P energy: -28.159
tors. eta vs tors. theta energy: -52.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -568.696867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.696867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.696867 (E_RNA)
where:
Base-Base interactions energy: -390.434
where: short stacking energy: -164.703
Base-Backbone interact. energy: 0.064
local terms energy: -178.327440
where:
bonds (distance) C4'-P energy: -33.672
bonds (distance) P-C4' energy: -35.400
flat angles C4'-P-C4' energy: -37.211
flat angles P-C4'-P energy: -24.232
tors. eta vs tors. theta energy: -47.813
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: 6, replica: 9
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -525.963235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.963235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.963235 (E_RNA)
where:
Base-Base interactions energy: -342.844
where: short stacking energy: -169.283
Base-Backbone interact. energy: -0.185
local terms energy: -182.934682
where:
bonds (distance) C4'-P energy: -33.849
bonds (distance) P-C4' energy: -31.319
flat angles C4'-P-C4' energy: -35.687
flat angles P-C4'-P energy: -31.546
tors. eta vs tors. theta energy: -50.534
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: 6
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -323.549492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.549492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.549492 (E_RNA)
where:
Base-Base interactions energy: -188.114
where: short stacking energy: -97.632
Base-Backbone interact. energy: 0.861
local terms energy: -136.296618
where:
bonds (distance) C4'-P energy: -33.257
bonds (distance) P-C4' energy: -29.030
flat angles C4'-P-C4' energy: -34.345
flat angles P-C4'-P energy: -24.571
tors. eta vs tors. theta energy: -15.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -184.875087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.875087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.875087 (E_RNA)
where:
Base-Base interactions energy: -66.805
where: short stacking energy: -46.266
Base-Backbone interact. energy: -0.996
local terms energy: -117.073712
where:
bonds (distance) C4'-P energy: -37.132
bonds (distance) P-C4' energy: -22.709
flat angles C4'-P-C4' energy: -39.869
flat angles P-C4'-P energy: -21.684
tors. eta vs tors. theta energy: 4.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -187.642301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.642301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.642301 (E_RNA)
where:
Base-Base interactions energy: -74.574
where: short stacking energy: -44.956
Base-Backbone interact. energy: 0.450
local terms energy: -113.518336
where:
bonds (distance) C4'-P energy: -34.664
bonds (distance) P-C4' energy: -31.982
flat angles C4'-P-C4' energy: -36.084
flat angles P-C4'-P energy: -8.346
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: 10, replica: 10
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -173.784104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.784104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.784104 (E_RNA)
where:
Base-Base interactions energy: -60.407
where: short stacking energy: -49.597
Base-Backbone interact. energy: -0.268
local terms energy: -113.108270
where:
bonds (distance) C4'-P energy: -40.339
bonds (distance) P-C4' energy: -40.373
flat angles C4'-P-C4' energy: -14.415
flat angles P-C4'-P energy: -20.534
tors. eta vs tors. theta energy: 2.553
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: 1
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -654.035017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.035017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.035017 (E_RNA)
where:
Base-Base interactions energy: -446.692
where: short stacking energy: -201.023
Base-Backbone interact. energy: 4.379
local terms energy: -211.722257
where:
bonds (distance) C4'-P energy: -33.155
bonds (distance) P-C4' energy: -39.324
flat angles C4'-P-C4' energy: -42.379
flat angles P-C4'-P energy: -34.656
tors. eta vs tors. theta energy: -62.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -619.430838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.430838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.430838 (E_RNA)
where:
Base-Base interactions energy: -424.483
where: short stacking energy: -185.952
Base-Backbone interact. energy: -0.160
local terms energy: -194.787941
where:
bonds (distance) C4'-P energy: -35.510
bonds (distance) P-C4' energy: -36.676
flat angles C4'-P-C4' energy: -41.923
flat angles P-C4'-P energy: -27.187
tors. eta vs tors. theta energy: -53.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -621.440042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.440042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.440042 (E_RNA)
where:
Base-Base interactions energy: -403.757
where: short stacking energy: -184.183
Base-Backbone interact. energy: 0.665
local terms energy: -218.347697
where:
bonds (distance) C4'-P energy: -38.146
bonds (distance) P-C4' energy: -41.469
flat angles C4'-P-C4' energy: -50.506
flat angles P-C4'-P energy: -34.130
tors. eta vs tors. theta energy: -54.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -555.288342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.288342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.288342 (E_RNA)
where:
Base-Base interactions energy: -346.179
where: short stacking energy: -158.912
Base-Backbone interact. energy: -0.751
local terms energy: -208.358589
where:
bonds (distance) C4'-P energy: -39.914
bonds (distance) P-C4' energy: -42.485
flat angles C4'-P-C4' energy: -41.823
flat angles P-C4'-P energy: -33.463
tors. eta vs tors. theta energy: -50.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -560.470258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.470258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.470258 (E_RNA)
where:
Base-Base interactions energy: -363.934
where: short stacking energy: -164.393
Base-Backbone interact. energy: -1.507
local terms energy: -195.029726
where:
bonds (distance) C4'-P energy: -36.422
bonds (distance) P-C4' energy: -41.938
flat angles C4'-P-C4' energy: -40.546
flat angles P-C4'-P energy: -28.437
tors. eta vs tors. theta energy: -47.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -552.954224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.954224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.954224 (E_RNA)
where:
Base-Base interactions energy: -372.897
where: short stacking energy: -180.402
Base-Backbone interact. energy: -0.951
local terms energy: -179.106473
where:
bonds (distance) C4'-P energy: -29.279
bonds (distance) P-C4' energy: -35.163
flat angles C4'-P-C4' energy: -37.317
flat angles P-C4'-P energy: -27.788
tors. eta vs tors. theta energy: -49.560
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: 475
Temperature: 1.200000
Total energy: -314.762268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.762268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.762268 (E_RNA)
where:
Base-Base interactions energy: -183.221
where: short stacking energy: -91.760
Base-Backbone interact. energy: -0.397
local terms energy: -131.144066
where:
bonds (distance) C4'-P energy: -31.443
bonds (distance) P-C4' energy: -33.063
flat angles C4'-P-C4' energy: -26.156
flat angles P-C4'-P energy: -24.567
tors. eta vs tors. theta energy: -15.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -193.786803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.786803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.786803 (E_RNA)
where:
Base-Base interactions energy: -84.357
where: short stacking energy: -64.456
Base-Backbone interact. energy: 2.049
local terms energy: -111.479042
where:
bonds (distance) C4'-P energy: -29.212
bonds (distance) P-C4' energy: -31.558
flat angles C4'-P-C4' energy: -22.842
flat angles P-C4'-P energy: -22.012
tors. eta vs tors. theta energy: -5.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -169.451959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.451959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.451959 (E_RNA)
where:
Base-Base interactions energy: -51.219
where: short stacking energy: -43.379
Base-Backbone interact. energy: -0.792
local terms energy: -117.441735
where:
bonds (distance) C4'-P energy: -39.374
bonds (distance) P-C4' energy: -34.663
flat angles C4'-P-C4' energy: -27.972
flat angles P-C4'-P energy: -16.822
tors. eta vs tors. theta energy: 1.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -175.023240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.023240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.023240 (E_RNA)
where:
Base-Base interactions energy: -61.761
where: short stacking energy: -55.422
Base-Backbone interact. energy: 0.718
local terms energy: -113.979351
where:
bonds (distance) C4'-P energy: -29.521
bonds (distance) P-C4' energy: -38.406
flat angles C4'-P-C4' energy: -28.610
flat angles P-C4'-P energy: -18.654
tors. eta vs tors. theta energy: 1.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -649.720871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.720871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.720871 (E_RNA)
where:
Base-Base interactions energy: -435.801
where: short stacking energy: -189.510
Base-Backbone interact. energy: -0.980
local terms energy: -212.939578
where:
bonds (distance) C4'-P energy: -34.452
bonds (distance) P-C4' energy: -45.338
flat angles C4'-P-C4' energy: -47.289
flat angles P-C4'-P energy: -33.785
tors. eta vs tors. theta energy: -52.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -646.735788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.735788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.735788 (E_RNA)
where:
Base-Base interactions energy: -429.498
where: short stacking energy: -184.142
Base-Backbone interact. energy: -0.988
local terms energy: -216.249603
where:
bonds (distance) C4'-P energy: -43.974
bonds (distance) P-C4' energy: -37.769
flat angles C4'-P-C4' energy: -43.495
flat angles P-C4'-P energy: -31.196
tors. eta vs tors. theta energy: -59.815
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: 4
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -617.517144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.517144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.517144 (E_RNA)
where:
Base-Base interactions energy: -426.682
where: short stacking energy: -194.195
Base-Backbone interact. energy: -0.079
local terms energy: -190.755970
where:
bonds (distance) C4'-P energy: -31.239
bonds (distance) P-C4' energy: -32.102
flat angles C4'-P-C4' energy: -45.466
flat angles P-C4'-P energy: -26.403
tors. eta vs tors. theta energy: -55.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -571.606894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.606894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.606894 (E_RNA)
where:
Base-Base interactions energy: -365.411
where: short stacking energy: -179.375
Base-Backbone interact. energy: 0.142
local terms energy: -206.338555
where:
bonds (distance) C4'-P energy: -41.781
bonds (distance) P-C4' energy: -31.478
flat angles C4'-P-C4' energy: -46.537
flat angles P-C4'-P energy: -31.070
tors. eta vs tors. theta energy: -55.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -550.945696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.945696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.945696 (E_RNA)
where:
Base-Base interactions energy: -352.281
where: short stacking energy: -151.621
Base-Backbone interact. energy: -0.137
local terms energy: -198.527087
where:
bonds (distance) C4'-P energy: -41.061
bonds (distance) P-C4' energy: -29.290
flat angles C4'-P-C4' energy: -36.972
flat angles P-C4'-P energy: -35.324
tors. eta vs tors. theta energy: -55.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -567.144456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.144456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.144456 (E_RNA)
where:
Base-Base interactions energy: -377.922
where: short stacking energy: -165.378
Base-Backbone interact. energy: -0.042
local terms energy: -189.180444
where:
bonds (distance) C4'-P energy: -38.478
bonds (distance) P-C4' energy: -38.325
flat angles C4'-P-C4' energy: -33.287
flat angles P-C4'-P energy: -29.290
tors. eta vs tors. theta energy: -49.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -302.571557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.571557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.571557 (E_RNA)
where:
Base-Base interactions energy: -161.516
where: short stacking energy: -88.130
Base-Backbone interact. energy: 0.414
local terms energy: -141.469741
where:
bonds (distance) C4'-P energy: -35.889
bonds (distance) P-C4' energy: -37.744
flat angles C4'-P-C4' energy: -23.425
flat angles P-C4'-P energy: -25.716
tors. eta vs tors. theta energy: -18.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -192.633078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.633078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.633078 (E_RNA)
where:
Base-Base interactions energy: -75.596
where: short stacking energy: -41.615
Base-Backbone interact. energy: -1.390
local terms energy: -115.647721
where:
bonds (distance) C4'-P energy: -41.951
bonds (distance) P-C4' energy: -38.726
flat angles C4'-P-C4' energy: -24.099
flat angles P-C4'-P energy: -17.712
tors. eta vs tors. theta energy: 6.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -197.309085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.309085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.309085 (E_RNA)
where:
Base-Base interactions energy: -64.677
where: short stacking energy: -63.444
Base-Backbone interact. energy: -0.730
local terms energy: -131.901710
where:
bonds (distance) C4'-P energy: -36.435
bonds (distance) P-C4' energy: -40.927
flat angles C4'-P-C4' energy: -32.374
flat angles P-C4'-P energy: -19.014
tors. eta vs tors. theta energy: -3.152
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: 5
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -163.143198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.143198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.143198 (E_RNA)
where:
Base-Base interactions energy: -52.022
where: short stacking energy: -39.356
Base-Backbone interact. energy: 0.841
local terms energy: -111.963049
where:
bonds (distance) C4'-P energy: -40.318
bonds (distance) P-C4' energy: -37.972
flat angles C4'-P-C4' energy: -21.365
flat angles P-C4'-P energy: -15.498
tors. eta vs tors. theta energy: 3.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -669.146761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.146761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.146761 (E_RNA)
where:
Base-Base interactions energy: -452.903
where: short stacking energy: -194.083
Base-Backbone interact. energy: -2.108
local terms energy: -214.135679
where:
bonds (distance) C4'-P energy: -38.362
bonds (distance) P-C4' energy: -40.568
flat angles C4'-P-C4' energy: -47.334
flat angles P-C4'-P energy: -28.309
tors. eta vs tors. theta energy: -59.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -645.848720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.848720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.848720 (E_RNA)
where:
Base-Base interactions energy: -432.785
where: short stacking energy: -198.861
Base-Backbone interact. energy: -0.189
local terms energy: -212.875664
where:
bonds (distance) C4'-P energy: -43.234
bonds (distance) P-C4' energy: -40.664
flat angles C4'-P-C4' energy: -41.572
flat angles P-C4'-P energy: -27.226
tors. eta vs tors. theta energy: -60.179
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: 1
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -611.270937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.270937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.270937 (E_RNA)
where:
Base-Base interactions energy: -404.933
where: short stacking energy: -183.594
Base-Backbone interact. energy: -0.150
local terms energy: -206.188001
where:
bonds (distance) C4'-P energy: -33.163
bonds (distance) P-C4' energy: -31.851
flat angles C4'-P-C4' energy: -44.048
flat angles P-C4'-P energy: -33.490
tors. eta vs tors. theta energy: -63.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -580.549726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.549726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.549726 (E_RNA)
where:
Base-Base interactions energy: -383.893
where: short stacking energy: -192.973
Base-Backbone interact. energy: -0.149
local terms energy: -196.507724
where:
bonds (distance) C4'-P energy: -38.457
bonds (distance) P-C4' energy: -25.798
flat angles C4'-P-C4' energy: -47.631
flat angles P-C4'-P energy: -28.783
tors. eta vs tors. theta energy: -55.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -560.459917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.459917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.459917 (E_RNA)
where:
Base-Base interactions energy: -379.929
where: short stacking energy: -184.277
Base-Backbone interact. energy: -0.459
local terms energy: -180.071600
where:
bonds (distance) C4'-P energy: -33.575
bonds (distance) P-C4' energy: -33.837
flat angles C4'-P-C4' energy: -37.108
flat angles P-C4'-P energy: -23.264
tors. eta vs tors. theta energy: -52.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -534.779488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.779488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.779488 (E_RNA)
where:
Base-Base interactions energy: -355.313
where: short stacking energy: -144.499
Base-Backbone interact. energy: 1.008
local terms energy: -180.474201
where:
bonds (distance) C4'-P energy: -36.214
bonds (distance) P-C4' energy: -39.906
flat angles C4'-P-C4' energy: -39.625
flat angles P-C4'-P energy: -26.621
tors. eta vs tors. theta energy: -38.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -333.077295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.077295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.077295 (E_RNA)
where:
Base-Base interactions energy: -186.030
where: short stacking energy: -101.392
Base-Backbone interact. energy: -0.354
local terms energy: -146.693275
where:
bonds (distance) C4'-P energy: -31.948
bonds (distance) P-C4' energy: -36.820
flat angles C4'-P-C4' energy: -34.846
flat angles P-C4'-P energy: -22.756
tors. eta vs tors. theta energy: -20.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -191.512175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.512175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.512175 (E_RNA)
where:
Base-Base interactions energy: -67.792
where: short stacking energy: -63.537
Base-Backbone interact. energy: 5.306
local terms energy: -129.026846
where:
bonds (distance) C4'-P energy: -30.462
bonds (distance) P-C4' energy: -36.472
flat angles C4'-P-C4' energy: -45.040
flat angles P-C4'-P energy: -20.142
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: 9, replica: 3
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -187.784096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.784096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.784096 (E_RNA)
where:
Base-Base interactions energy: -61.850
where: short stacking energy: -53.807
Base-Backbone interact. energy: 2.878
local terms energy: -128.811369
where:
bonds (distance) C4'-P energy: -37.875
bonds (distance) P-C4' energy: -31.705
flat angles C4'-P-C4' energy: -38.792
flat angles P-C4'-P energy: -18.243
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: 5
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -201.101998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.101998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.101998 (E_RNA)
where:
Base-Base interactions energy: -82.677
where: short stacking energy: -48.052
Base-Backbone interact. energy: -0.893
local terms energy: -117.532547
where:
bonds (distance) C4'-P energy: -32.886
bonds (distance) P-C4' energy: -35.340
flat angles C4'-P-C4' energy: -26.058
flat angles P-C4'-P energy: -24.039
tors. eta vs tors. theta energy: 0.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -662.862158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.862158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.862158 (E_RNA)
where:
Base-Base interactions energy: -437.617
where: short stacking energy: -193.034
Base-Backbone interact. energy: -0.376
local terms energy: -224.868990
where:
bonds (distance) C4'-P energy: -37.368
bonds (distance) P-C4' energy: -45.029
flat angles C4'-P-C4' energy: -44.169
flat angles P-C4'-P energy: -34.919
tors. eta vs tors. theta energy: -63.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -651.517918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.517918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.517918 (E_RNA)
where:
Base-Base interactions energy: -444.000
where: short stacking energy: -192.632
Base-Backbone interact. energy: -0.646
local terms energy: -206.872115
where:
bonds (distance) C4'-P energy: -40.720
bonds (distance) P-C4' energy: -37.439
flat angles C4'-P-C4' energy: -44.170
flat angles P-C4'-P energy: -33.016
tors. eta vs tors. theta energy: -51.527
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: 3, replica: 1
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -640.448319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.448319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.448319 (E_RNA)
where:
Base-Base interactions energy: -431.261
where: short stacking energy: -193.290
Base-Backbone interact. energy: -0.775
local terms energy: -208.412070
where:
bonds (distance) C4'-P energy: -38.340
bonds (distance) P-C4' energy: -42.742
flat angles C4'-P-C4' energy: -44.512
flat angles P-C4'-P energy: -26.099
tors. eta vs tors. theta energy: -56.720
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: 4, replica: 7
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -576.378975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.378975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.378975 (E_RNA)
where:
Base-Base interactions energy: -372.664
where: short stacking energy: -177.928
Base-Backbone interact. energy: -0.419
local terms energy: -203.296603
where:
bonds (distance) C4'-P energy: -38.135
bonds (distance) P-C4' energy: -35.993
flat angles C4'-P-C4' energy: -45.404
flat angles P-C4'-P energy: -30.745
tors. eta vs tors. theta energy: -53.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -572.243338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.243338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.243338 (E_RNA)
where:
Base-Base interactions energy: -381.155
where: short stacking energy: -155.609
Base-Backbone interact. energy: -1.215
local terms energy: -189.873426
where:
bonds (distance) C4'-P energy: -31.017
bonds (distance) P-C4' energy: -43.960
flat angles C4'-P-C4' energy: -44.650
flat angles P-C4'-P energy: -27.153
tors. eta vs tors. theta energy: -43.094
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: 6, replica: 9
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -551.884214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.884214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.884214 (E_RNA)
where:
Base-Base interactions energy: -373.865
where: short stacking energy: -181.280
Base-Backbone interact. energy: -0.150
local terms energy: -177.868840
where:
bonds (distance) C4'-P energy: -22.542
bonds (distance) P-C4' energy: -31.383
flat angles C4'-P-C4' energy: -40.418
flat angles P-C4'-P energy: -30.461
tors. eta vs tors. theta energy: -53.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -304.102518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.102518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.102518 (E_RNA)
where:
Base-Base interactions energy: -158.207
where: short stacking energy: -89.170
Base-Backbone interact. energy: -0.281
local terms energy: -145.614099
where:
bonds (distance) C4'-P energy: -39.639
bonds (distance) P-C4' energy: -30.937
flat angles C4'-P-C4' energy: -38.599
flat angles P-C4'-P energy: -23.121
tors. eta vs tors. theta energy: -13.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -212.789740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.789740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.789740 (E_RNA)
where:
Base-Base interactions energy: -101.258
where: short stacking energy: -61.196
Base-Backbone interact. energy: 1.287
local terms energy: -112.818318
where:
bonds (distance) C4'-P energy: -39.116
bonds (distance) P-C4' energy: -34.628
flat angles C4'-P-C4' energy: -23.096
flat angles P-C4'-P energy: -24.594
tors. eta vs tors. theta energy: 8.615
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: 9, replica: 5
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -190.234443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.234443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.234443 (E_RNA)
where:
Base-Base interactions energy: -64.141
where: short stacking energy: -47.440
Base-Backbone interact. energy: -0.666
local terms energy: -125.426854
where:
bonds (distance) C4'-P energy: -35.251
bonds (distance) P-C4' energy: -40.037
flat angles C4'-P-C4' energy: -27.518
flat angles P-C4'-P energy: -19.634
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: 10, replica: 3
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -165.978072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.978072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.978072 (E_RNA)
where:
Base-Base interactions energy: -46.275
where: short stacking energy: -44.833
Base-Backbone interact. energy: -0.609
local terms energy: -119.094554
where:
bonds (distance) C4'-P energy: -36.801
bonds (distance) P-C4' energy: -32.274
flat angles C4'-P-C4' energy: -26.118
flat angles P-C4'-P energy: -22.584
tors. eta vs tors. theta energy: -1.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -662.951388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.951388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.951388 (E_RNA)
where:
Base-Base interactions energy: -439.125
where: short stacking energy: -208.304
Base-Backbone interact. energy: -0.227
local terms energy: -223.599232
where:
bonds (distance) C4'-P energy: -36.219
bonds (distance) P-C4' energy: -34.599
flat angles C4'-P-C4' energy: -48.678
flat angles P-C4'-P energy: -38.682
tors. eta vs tors. theta energy: -65.421
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: 1
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -644.232146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.232146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.232146 (E_RNA)
where:
Base-Base interactions energy: -418.699
where: short stacking energy: -181.280
Base-Backbone interact. energy: -1.492
local terms energy: -224.040523
where:
bonds (distance) C4'-P energy: -37.882
bonds (distance) P-C4' energy: -44.148
flat angles C4'-P-C4' energy: -42.449
flat angles P-C4'-P energy: -34.103
tors. eta vs tors. theta energy: -65.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -630.489314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.489314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.489314 (E_RNA)
where:
Base-Base interactions energy: -428.498
where: short stacking energy: -168.584
Base-Backbone interact. energy: -1.049
local terms energy: -200.942180
where:
bonds (distance) C4'-P energy: -39.186
bonds (distance) P-C4' energy: -40.783
flat angles C4'-P-C4' energy: -43.766
flat angles P-C4'-P energy: -23.322
tors. eta vs tors. theta energy: -53.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -569.128508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.128508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.128508 (E_RNA)
where:
Base-Base interactions energy: -365.155
where: short stacking energy: -180.876
Base-Backbone interact. energy: 0.228
local terms energy: -204.202137
where:
bonds (distance) C4'-P energy: -35.564
bonds (distance) P-C4' energy: -40.147
flat angles C4'-P-C4' energy: -42.868
flat angles P-C4'-P energy: -27.937
tors. eta vs tors. theta energy: -57.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -585.517095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.517095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.517095 (E_RNA)
where:
Base-Base interactions energy: -373.876
where: short stacking energy: -193.836
Base-Backbone interact. energy: -0.893
local terms energy: -210.748414
where:
bonds (distance) C4'-P energy: -39.718
bonds (distance) P-C4' energy: -42.193
flat angles C4'-P-C4' energy: -43.668
flat angles P-C4'-P energy: -29.199
tors. eta vs tors. theta energy: -55.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -528.379677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.379677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.379677 (E_RNA)
where:
Base-Base interactions energy: -354.919
where: short stacking energy: -163.397
Base-Backbone interact. energy: -0.294
local terms energy: -173.166103
where:
bonds (distance) C4'-P energy: -27.946
bonds (distance) P-C4' energy: -30.988
flat angles C4'-P-C4' energy: -42.206
flat angles P-C4'-P energy: -29.744
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: 7, replica: 6
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -300.324314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.324314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.324314 (E_RNA)
where:
Base-Base interactions energy: -150.605
where: short stacking energy: -82.771
Base-Backbone interact. energy: -0.591
local terms energy: -149.127615
where:
bonds (distance) C4'-P energy: -34.408
bonds (distance) P-C4' energy: -36.596
flat angles C4'-P-C4' energy: -39.251
flat angles P-C4'-P energy: -26.139
tors. eta vs tors. theta energy: -12.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -202.265785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.265785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.265785 (E_RNA)
where:
Base-Base interactions energy: -74.799
where: short stacking energy: -72.244
Base-Backbone interact. energy: -0.305
local terms energy: -127.161582
where:
bonds (distance) C4'-P energy: -32.519
bonds (distance) P-C4' energy: -40.023
flat angles C4'-P-C4' energy: -30.102
flat angles P-C4'-P energy: -14.772
tors. eta vs tors. theta energy: -9.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -171.654199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.654199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.654199 (E_RNA)
where:
Base-Base interactions energy: -51.109
where: short stacking energy: -44.079
Base-Backbone interact. energy: -1.241
local terms energy: -119.304166
where:
bonds (distance) C4'-P energy: -41.276
bonds (distance) P-C4' energy: -36.277
flat angles C4'-P-C4' energy: -32.470
flat angles P-C4'-P energy: -14.826
tors. eta vs tors. theta energy: 5.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -186.228833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.228833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.228833 (E_RNA)
where:
Base-Base interactions energy: -74.268
where: short stacking energy: -59.327
Base-Backbone interact. energy: -0.499
local terms energy: -111.461991
where:
bonds (distance) C4'-P energy: -30.356
bonds (distance) P-C4' energy: -27.449
flat angles C4'-P-C4' energy: -27.864
flat angles P-C4'-P energy: -29.035
tors. eta vs tors. theta energy: 3.242
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: 1
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -655.511179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.511179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.511179 (E_RNA)
where:
Base-Base interactions energy: -441.240
where: short stacking energy: -189.862
Base-Backbone interact. energy: -0.477
local terms energy: -213.793629
where:
bonds (distance) C4'-P energy: -41.545
bonds (distance) P-C4' energy: -42.402
flat angles C4'-P-C4' energy: -38.998
flat angles P-C4'-P energy: -31.557
tors. eta vs tors. theta energy: -59.292
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: 4
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -646.625233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.625233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.625233 (E_RNA)
where:
Base-Base interactions energy: -431.658
where: short stacking energy: -204.794
Base-Backbone interact. energy: 0.349
local terms energy: -215.315839
where:
bonds (distance) C4'-P energy: -38.051
bonds (distance) P-C4' energy: -36.004
flat angles C4'-P-C4' energy: -44.227
flat angles P-C4'-P energy: -32.812
tors. eta vs tors. theta energy: -64.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -613.127302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.127302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.127302 (E_RNA)
where:
Base-Base interactions energy: -411.418
where: short stacking energy: -171.255
Base-Backbone interact. energy: 2.154
local terms energy: -203.863093
where:
bonds (distance) C4'-P energy: -33.332
bonds (distance) P-C4' energy: -39.983
flat angles C4'-P-C4' energy: -45.977
flat angles P-C4'-P energy: -24.466
tors. eta vs tors. theta energy: -60.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -575.091597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.091597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.091597 (E_RNA)
where:
Base-Base interactions energy: -376.886
where: short stacking energy: -173.214
Base-Backbone interact. energy: 1.621
local terms energy: -199.826624
where:
bonds (distance) C4'-P energy: -33.856
bonds (distance) P-C4' energy: -41.965
flat angles C4'-P-C4' energy: -42.966
flat angles P-C4'-P energy: -27.309
tors. eta vs tors. theta energy: -53.731
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: 5, replica: 9
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -557.200684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.200684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.200684 (E_RNA)
where:
Base-Base interactions energy: -364.523
where: short stacking energy: -165.647
Base-Backbone interact. energy: -1.126
local terms energy: -191.551088
where:
bonds (distance) C4'-P energy: -30.797
bonds (distance) P-C4' energy: -38.889
flat angles C4'-P-C4' energy: -41.189
flat angles P-C4'-P energy: -30.709
tors. eta vs tors. theta energy: -49.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -542.910837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.910837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.910837 (E_RNA)
where:
Base-Base interactions energy: -366.656
where: short stacking energy: -167.017
Base-Backbone interact. energy: -0.398
local terms energy: -175.856865
where:
bonds (distance) C4'-P energy: -35.774
bonds (distance) P-C4' energy: -40.575
flat angles C4'-P-C4' energy: -29.148
flat angles P-C4'-P energy: -27.689
tors. eta vs tors. theta energy: -42.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -296.801774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.801774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.801774 (E_RNA)
where:
Base-Base interactions energy: -154.926
where: short stacking energy: -93.043
Base-Backbone interact. energy: -2.043
local terms energy: -139.833379
where:
bonds (distance) C4'-P energy: -30.570
bonds (distance) P-C4' energy: -42.721
flat angles C4'-P-C4' energy: -38.097
flat angles P-C4'-P energy: -16.797
tors. eta vs tors. theta energy: -11.648
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: 8, replica: 5
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -210.482003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.482003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.482003 (E_RNA)
where:
Base-Base interactions energy: -86.821
where: short stacking energy: -86.821
Base-Backbone interact. energy: -0.334
local terms energy: -123.327022
where:
bonds (distance) C4'-P energy: -26.780
bonds (distance) P-C4' energy: -36.086
flat angles C4'-P-C4' energy: -30.720
flat angles P-C4'-P energy: -13.316
tors. eta vs tors. theta energy: -16.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -184.726597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.726597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.726597 (E_RNA)
where:
Base-Base interactions energy: -64.766
where: short stacking energy: -41.647
Base-Backbone interact. energy: 3.471
local terms energy: -123.431226
where:
bonds (distance) C4'-P energy: -30.859
bonds (distance) P-C4' energy: -46.805
flat angles C4'-P-C4' energy: -25.805
flat angles P-C4'-P energy: -18.546
tors. eta vs tors. theta energy: -1.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -188.044549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.044549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.044549 (E_RNA)
where:
Base-Base interactions energy: -81.777
where: short stacking energy: -54.454
Base-Backbone interact. energy: -0.498
local terms energy: -105.769642
where:
bonds (distance) C4'-P energy: -29.833
bonds (distance) P-C4' energy: -34.052
flat angles C4'-P-C4' energy: -31.454
flat angles P-C4'-P energy: -12.547
tors. eta vs tors. theta energy: 2.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -661.160083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.160083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.160083 (E_RNA)
where:
Base-Base interactions energy: -446.400
where: short stacking energy: -205.709
Base-Backbone interact. energy: -0.022
local terms energy: -214.738240
where:
bonds (distance) C4'-P energy: -38.517
bonds (distance) P-C4' energy: -39.998
flat angles C4'-P-C4' energy: -45.885
flat angles P-C4'-P energy: -31.536
tors. eta vs tors. theta energy: -58.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -647.977017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.977017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.977017 (E_RNA)
where:
Base-Base interactions energy: -428.960
where: short stacking energy: -191.296
Base-Backbone interact. energy: -0.476
local terms energy: -218.540673
where:
bonds (distance) C4'-P energy: -40.107
bonds (distance) P-C4' energy: -37.978
flat angles C4'-P-C4' energy: -47.577
flat angles P-C4'-P energy: -33.102
tors. eta vs tors. theta energy: -59.778
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: 481
Temperature: 1.000000
Total energy: -601.278839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.278839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.278839 (E_RNA)
where:
Base-Base interactions energy: -410.686
where: short stacking energy: -174.434
Base-Backbone interact. energy: -0.428
local terms energy: -190.164614
where:
bonds (distance) C4'-P energy: -36.849
bonds (distance) P-C4' energy: -34.613
flat angles C4'-P-C4' energy: -39.877
flat angles P-C4'-P energy: -24.970
tors. eta vs tors. theta energy: -53.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -562.701096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.701096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.701096 (E_RNA)
where:
Base-Base interactions energy: -377.471
where: short stacking energy: -185.106
Base-Backbone interact. energy: -0.194
local terms energy: -185.036692
where:
bonds (distance) C4'-P energy: -35.734
bonds (distance) P-C4' energy: -26.401
flat angles C4'-P-C4' energy: -37.270
flat angles P-C4'-P energy: -29.383
tors. eta vs tors. theta energy: -56.248
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: 9
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -556.452234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.452234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.452234 (E_RNA)
where:
Base-Base interactions energy: -361.761
where: short stacking energy: -164.530
Base-Backbone interact. energy: 0.766
local terms energy: -195.457193
where:
bonds (distance) C4'-P energy: -37.994
bonds (distance) P-C4' energy: -37.437
flat angles C4'-P-C4' energy: -41.167
flat angles P-C4'-P energy: -27.594
tors. eta vs tors. theta energy: -51.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -554.081532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.081532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.081532 (E_RNA)
where:
Base-Base interactions energy: -368.319
where: short stacking energy: -167.815
Base-Backbone interact. energy: -0.202
local terms energy: -185.561023
where:
bonds (distance) C4'-P energy: -29.275
bonds (distance) P-C4' energy: -42.118
flat angles C4'-P-C4' energy: -39.769
flat angles P-C4'-P energy: -22.351
tors. eta vs tors. theta energy: -52.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -349.938020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.938020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.938020 (E_RNA)
where:
Base-Base interactions energy: -216.920
where: short stacking energy: -95.458
Base-Backbone interact. energy: -1.324
local terms energy: -131.694423
where:
bonds (distance) C4'-P energy: -36.015
bonds (distance) P-C4' energy: -28.417
flat angles C4'-P-C4' energy: -25.655
flat angles P-C4'-P energy: -20.027
tors. eta vs tors. theta energy: -21.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -228.130400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.130400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.130400 (E_RNA)
where:
Base-Base interactions energy: -118.237
where: short stacking energy: -62.295
Base-Backbone interact. energy: 1.684
local terms energy: -111.577537
where:
bonds (distance) C4'-P energy: -32.678
bonds (distance) P-C4' energy: -27.917
flat angles C4'-P-C4' energy: -27.831
flat angles P-C4'-P energy: -26.078
tors. eta vs tors. theta energy: 2.927
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: 9, replica: 5
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -192.218689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.218689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.218689 (E_RNA)
where:
Base-Base interactions energy: -73.045
where: short stacking energy: -40.248
Base-Backbone interact. energy: -0.778
local terms energy: -118.396150
where:
bonds (distance) C4'-P energy: -39.388
bonds (distance) P-C4' energy: -33.225
flat angles C4'-P-C4' energy: -35.620
flat angles P-C4'-P energy: -20.602
tors. eta vs tors. theta energy: 10.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -175.065207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.065207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.065207 (E_RNA)
where:
Base-Base interactions energy: -58.461
where: short stacking energy: -49.534
Base-Backbone interact. energy: -1.498
local terms energy: -115.105869
where:
bonds (distance) C4'-P energy: -33.464
bonds (distance) P-C4' energy: -42.470
flat angles C4'-P-C4' energy: -26.960
flat angles P-C4'-P energy: -13.901
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: 4
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -662.371654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.371654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.371654 (E_RNA)
where:
Base-Base interactions energy: -441.193
where: short stacking energy: -204.481
Base-Backbone interact. energy: -0.237
local terms energy: -220.941732
where:
bonds (distance) C4'-P energy: -41.761
bonds (distance) P-C4' energy: -40.839
flat angles C4'-P-C4' energy: -44.086
flat angles P-C4'-P energy: -30.223
tors. eta vs tors. theta energy: -64.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -631.200840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.200840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.200840 (E_RNA)
where:
Base-Base interactions energy: -412.751
where: short stacking energy: -187.999
Base-Backbone interact. energy: -0.702
local terms energy: -217.748179
where:
bonds (distance) C4'-P energy: -38.061
bonds (distance) P-C4' energy: -41.717
flat angles C4'-P-C4' energy: -47.434
flat angles P-C4'-P energy: -30.704
tors. eta vs tors. theta energy: -59.832
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: 2
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -614.845143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.845143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.845143 (E_RNA)
where:
Base-Base interactions energy: -425.497
where: short stacking energy: -175.317
Base-Backbone interact. energy: 1.607
local terms energy: -190.955389
where:
bonds (distance) C4'-P energy: -35.435
bonds (distance) P-C4' energy: -37.931
flat angles C4'-P-C4' energy: -41.754
flat angles P-C4'-P energy: -24.207
tors. eta vs tors. theta energy: -51.628
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: 8
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -596.613748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.613748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.613748 (E_RNA)
where:
Base-Base interactions energy: -391.267
where: short stacking energy: -180.028
Base-Backbone interact. energy: -0.169
local terms energy: -205.177534
where:
bonds (distance) C4'-P energy: -39.436
bonds (distance) P-C4' energy: -39.618
flat angles C4'-P-C4' energy: -48.568
flat angles P-C4'-P energy: -26.820
tors. eta vs tors. theta energy: -50.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -570.694481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.694481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.694481 (E_RNA)
where:
Base-Base interactions energy: -376.284
where: short stacking energy: -181.655
Base-Backbone interact. energy: -0.649
local terms energy: -193.760976
where:
bonds (distance) C4'-P energy: -28.551
bonds (distance) P-C4' energy: -43.426
flat angles C4'-P-C4' energy: -39.201
flat angles P-C4'-P energy: -27.587
tors. eta vs tors. theta energy: -54.996
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: 7
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -539.129624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.129624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.129624 (E_RNA)
where:
Base-Base interactions energy: -346.782
where: short stacking energy: -156.877
Base-Backbone interact. energy: -0.218
local terms energy: -192.130394
where:
bonds (distance) C4'-P energy: -43.184
bonds (distance) P-C4' energy: -38.702
flat angles C4'-P-C4' energy: -41.756
flat angles P-C4'-P energy: -23.143
tors. eta vs tors. theta energy: -45.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -320.823522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.823522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.823522 (E_RNA)
where:
Base-Base interactions energy: -180.106
where: short stacking energy: -91.982
Base-Backbone interact. energy: -0.839
local terms energy: -139.877701
where:
bonds (distance) C4'-P energy: -30.789
bonds (distance) P-C4' energy: -38.491
flat angles C4'-P-C4' energy: -37.611
flat angles P-C4'-P energy: -19.476
tors. eta vs tors. theta energy: -13.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -223.498992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.498992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.498992 (E_RNA)
where:
Base-Base interactions energy: -102.515
where: short stacking energy: -63.364
Base-Backbone interact. energy: 3.253
local terms energy: -124.237525
where:
bonds (distance) C4'-P energy: -38.518
bonds (distance) P-C4' energy: -28.436
flat angles C4'-P-C4' energy: -30.357
flat angles P-C4'-P energy: -22.559
tors. eta vs tors. theta energy: -4.368
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: 10
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -192.775097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.775097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.775097 (E_RNA)
where:
Base-Base interactions energy: -77.883
where: short stacking energy: -52.598
Base-Backbone interact. energy: -2.546
local terms energy: -112.346954
where:
bonds (distance) C4'-P energy: -25.441
bonds (distance) P-C4' energy: -34.135
flat angles C4'-P-C4' energy: -38.638
flat angles P-C4'-P energy: -14.572
tors. eta vs tors. theta energy: 0.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -165.472638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.472638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.472638 (E_RNA)
where:
Base-Base interactions energy: -58.098
where: short stacking energy: -40.188
Base-Backbone interact. energy: 2.117
local terms energy: -109.491087
where:
bonds (distance) C4'-P energy: -36.701
bonds (distance) P-C4' energy: -42.922
flat angles C4'-P-C4' energy: -21.026
flat angles P-C4'-P energy: -10.478
tors. eta vs tors. theta energy: 1.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -669.992181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.992181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.992181 (E_RNA)
where:
Base-Base interactions energy: -448.494
where: short stacking energy: -206.837
Base-Backbone interact. energy: -1.432
local terms energy: -220.066020
where:
bonds (distance) C4'-P energy: -41.120
bonds (distance) P-C4' energy: -40.460
flat angles C4'-P-C4' energy: -43.836
flat angles P-C4'-P energy: -26.333
tors. eta vs tors. theta energy: -68.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -633.639127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.639127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.639127 (E_RNA)
where:
Base-Base interactions energy: -423.623
where: short stacking energy: -176.635
Base-Backbone interact. energy: -1.883
local terms energy: -208.132873
where:
bonds (distance) C4'-P energy: -37.586
bonds (distance) P-C4' energy: -33.783
flat angles C4'-P-C4' energy: -47.671
flat angles P-C4'-P energy: -30.755
tors. eta vs tors. theta energy: -58.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -615.091898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.091898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.091898 (E_RNA)
where:
Base-Base interactions energy: -413.772
where: short stacking energy: -180.939
Base-Backbone interact. energy: 0.143
local terms energy: -201.462455
where:
bonds (distance) C4'-P energy: -35.674
bonds (distance) P-C4' energy: -37.787
flat angles C4'-P-C4' energy: -41.768
flat angles P-C4'-P energy: -24.810
tors. eta vs tors. theta energy: -61.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -578.256760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.256760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.256760 (E_RNA)
where:
Base-Base interactions energy: -377.395
where: short stacking energy: -187.471
Base-Backbone interact. energy: -0.747
local terms energy: -200.114855
where:
bonds (distance) C4'-P energy: -32.841
bonds (distance) P-C4' energy: -44.072
flat angles C4'-P-C4' energy: -33.555
flat angles P-C4'-P energy: -32.447
tors. eta vs tors. theta energy: -57.200
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: 483
Temperature: 1.100000
Total energy: -576.071312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.071312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.071312 (E_RNA)
where:
Base-Base interactions energy: -385.716
where: short stacking energy: -183.831
Base-Backbone interact. energy: -0.722
local terms energy: -189.633928
where:
bonds (distance) C4'-P energy: -31.567
bonds (distance) P-C4' energy: -37.821
flat angles C4'-P-C4' energy: -30.024
flat angles P-C4'-P energy: -33.803
tors. eta vs tors. theta energy: -56.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -529.789371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.789371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.789371 (E_RNA)
where:
Base-Base interactions energy: -339.729
where: short stacking energy: -165.151
Base-Backbone interact. energy: -0.493
local terms energy: -189.566691
where:
bonds (distance) C4'-P energy: -37.810
bonds (distance) P-C4' energy: -43.217
flat angles C4'-P-C4' energy: -37.106
flat angles P-C4'-P energy: -23.931
tors. eta vs tors. theta energy: -47.502
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: 483
Temperature: 1.200000
Total energy: -302.061822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.061822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.061822 (E_RNA)
where:
Base-Base interactions energy: -175.800
where: short stacking energy: -89.754
Base-Backbone interact. energy: 1.196
local terms energy: -127.457988
where:
bonds (distance) C4'-P energy: -34.491
bonds (distance) P-C4' energy: -34.769
flat angles C4'-P-C4' energy: -21.419
flat angles P-C4'-P energy: -28.773
tors. eta vs tors. theta energy: -8.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -255.758298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.758298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.758298 (E_RNA)
where:
Base-Base interactions energy: -115.592
where: short stacking energy: -79.612
Base-Backbone interact. energy: -0.059
local terms energy: -140.107327
where:
bonds (distance) C4'-P energy: -33.895
bonds (distance) P-C4' energy: -38.154
flat angles C4'-P-C4' energy: -28.680
flat angles P-C4'-P energy: -25.623
tors. eta vs tors. theta energy: -13.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -191.733314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.733314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.733314 (E_RNA)
where:
Base-Base interactions energy: -75.412
where: short stacking energy: -58.884
Base-Backbone interact. energy: 0.207
local terms energy: -116.527982
where:
bonds (distance) C4'-P energy: -20.103
bonds (distance) P-C4' energy: -43.848
flat angles C4'-P-C4' energy: -28.455
flat angles P-C4'-P energy: -22.973
tors. eta vs tors. theta energy: -1.150
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: 10, replica: 5
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -168.725918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.725918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.725918 (E_RNA)
where:
Base-Base interactions energy: -41.986
where: short stacking energy: -40.027
Base-Backbone interact. energy: -0.307
local terms energy: -126.433038
where:
bonds (distance) C4'-P energy: -43.088
bonds (distance) P-C4' energy: -41.924
flat angles C4'-P-C4' energy: -25.047
flat angles P-C4'-P energy: -16.238
tors. eta vs tors. theta energy: -0.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -670.955319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.955319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.955319 (E_RNA)
where:
Base-Base interactions energy: -458.050
where: short stacking energy: -214.364
Base-Backbone interact. energy: 0.618
local terms energy: -213.523819
where:
bonds (distance) C4'-P energy: -40.586
bonds (distance) P-C4' energy: -40.000
flat angles C4'-P-C4' energy: -42.447
flat angles P-C4'-P energy: -29.630
tors. eta vs tors. theta energy: -60.860
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: 484
Temperature: 0.950000
Total energy: -618.063353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.063353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.063353 (E_RNA)
where:
Base-Base interactions energy: -416.961
where: short stacking energy: -188.317
Base-Backbone interact. energy: -0.386
local terms energy: -200.715661
where:
bonds (distance) C4'-P energy: -35.933
bonds (distance) P-C4' energy: -42.450
flat angles C4'-P-C4' energy: -44.797
flat angles P-C4'-P energy: -23.962
tors. eta vs tors. theta energy: -53.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -598.935083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.935083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.935083 (E_RNA)
where:
Base-Base interactions energy: -387.908
where: short stacking energy: -198.634
Base-Backbone interact. energy: -0.030
local terms energy: -210.996881
where:
bonds (distance) C4'-P energy: -42.335
bonds (distance) P-C4' energy: -37.071
flat angles C4'-P-C4' energy: -46.112
flat angles P-C4'-P energy: -28.522
tors. eta vs tors. theta energy: -56.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -594.953648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.953648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.953648 (E_RNA)
where:
Base-Base interactions energy: -398.943
where: short stacking energy: -180.737
Base-Backbone interact. energy: -0.249
local terms energy: -195.761406
where:
bonds (distance) C4'-P energy: -39.192
bonds (distance) P-C4' energy: -36.489
flat angles C4'-P-C4' energy: -42.671
flat angles P-C4'-P energy: -31.190
tors. eta vs tors. theta energy: -46.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -584.143067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.143067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.143067 (E_RNA)
where:
Base-Base interactions energy: -395.447
where: short stacking energy: -189.115
Base-Backbone interact. energy: -0.301
local terms energy: -188.395692
where:
bonds (distance) C4'-P energy: -33.493
bonds (distance) P-C4' energy: -31.284
flat angles C4'-P-C4' energy: -41.789
flat angles P-C4'-P energy: -27.855
tors. eta vs tors. theta energy: -53.975
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: 7
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -556.909174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.909174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.909174 (E_RNA)
where:
Base-Base interactions energy: -357.679
where: short stacking energy: -165.956
Base-Backbone interact. energy: 0.004
local terms energy: -199.234672
where:
bonds (distance) C4'-P energy: -38.518
bonds (distance) P-C4' energy: -31.031
flat angles C4'-P-C4' energy: -45.002
flat angles P-C4'-P energy: -32.031
tors. eta vs tors. theta energy: -52.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -318.712167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.712167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.712167 (E_RNA)
where:
Base-Base interactions energy: -164.073
where: short stacking energy: -85.612
Base-Backbone interact. energy: -0.217
local terms energy: -154.421925
where:
bonds (distance) C4'-P energy: -42.037
bonds (distance) P-C4' energy: -36.489
flat angles C4'-P-C4' energy: -37.965
flat angles P-C4'-P energy: -27.602
tors. eta vs tors. theta energy: -10.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -192.165453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.165453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.165453 (E_RNA)
where:
Base-Base interactions energy: -70.515
where: short stacking energy: -39.591
Base-Backbone interact. energy: 1.258
local terms energy: -122.908442
where:
bonds (distance) C4'-P energy: -41.426
bonds (distance) P-C4' energy: -28.079
flat angles C4'-P-C4' energy: -38.151
flat angles P-C4'-P energy: -21.720
tors. eta vs tors. theta energy: 6.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -186.735262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.735262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.735262 (E_RNA)
where:
Base-Base interactions energy: -83.964
where: short stacking energy: -52.075
Base-Backbone interact. energy: -0.711
local terms energy: -102.060760
where:
bonds (distance) C4'-P energy: -28.229
bonds (distance) P-C4' energy: -33.296
flat angles C4'-P-C4' energy: -26.764
flat angles P-C4'-P energy: -19.152
tors. eta vs tors. theta energy: 5.381
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: 10, replica: 10
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -162.631592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.631592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.631592 (E_RNA)
where:
Base-Base interactions energy: -59.141
where: short stacking energy: -55.905
Base-Backbone interact. energy: -0.724
local terms energy: -102.766116
where:
bonds (distance) C4'-P energy: -28.147
bonds (distance) P-C4' energy: -33.618
flat angles C4'-P-C4' energy: -23.513
flat angles P-C4'-P energy: -21.349
tors. eta vs tors. theta energy: 3.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -665.223353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.223353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.223353 (E_RNA)
where:
Base-Base interactions energy: -445.346
where: short stacking energy: -194.477
Base-Backbone interact. energy: -0.263
local terms energy: -219.613859
where:
bonds (distance) C4'-P energy: -39.442
bonds (distance) P-C4' energy: -43.288
flat angles C4'-P-C4' energy: -42.031
flat angles P-C4'-P energy: -34.578
tors. eta vs tors. theta energy: -60.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -616.297499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.297499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.297499 (E_RNA)
where:
Base-Base interactions energy: -393.065
where: short stacking energy: -178.703
Base-Backbone interact. energy: -1.120
local terms energy: -222.112705
where:
bonds (distance) C4'-P energy: -43.433
bonds (distance) P-C4' energy: -40.032
flat angles C4'-P-C4' energy: -48.122
flat angles P-C4'-P energy: -33.287
tors. eta vs tors. theta energy: -57.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -593.277550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.277550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.277550 (E_RNA)
where:
Base-Base interactions energy: -383.264
where: short stacking energy: -181.129
Base-Backbone interact. energy: -0.487
local terms energy: -209.526212
where:
bonds (distance) C4'-P energy: -38.837
bonds (distance) P-C4' energy: -30.017
flat angles C4'-P-C4' energy: -44.821
flat angles P-C4'-P energy: -33.746
tors. eta vs tors. theta energy: -62.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -576.817785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.817785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.817785 (E_RNA)
where:
Base-Base interactions energy: -378.098
where: short stacking energy: -173.852
Base-Backbone interact. energy: -0.273
local terms energy: -198.446322
where:
bonds (distance) C4'-P energy: -36.661
bonds (distance) P-C4' energy: -37.800
flat angles C4'-P-C4' energy: -43.064
flat angles P-C4'-P energy: -28.345
tors. eta vs tors. theta energy: -52.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -578.113761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.113761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.113761 (E_RNA)
where:
Base-Base interactions energy: -387.544
where: short stacking energy: -163.235
Base-Backbone interact. energy: -0.157
local terms energy: -190.412519
where:
bonds (distance) C4'-P energy: -42.152
bonds (distance) P-C4' energy: -32.045
flat angles C4'-P-C4' energy: -38.942
flat angles P-C4'-P energy: -27.095
tors. eta vs tors. theta energy: -50.179
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: 485
Temperature: 1.150000
Total energy: -554.278490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.278490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.278490 (E_RNA)
where:
Base-Base interactions energy: -372.662
where: short stacking energy: -170.859
Base-Backbone interact. energy: -0.727
local terms energy: -180.889260
where:
bonds (distance) C4'-P energy: -28.066
bonds (distance) P-C4' energy: -30.959
flat angles C4'-P-C4' energy: -42.997
flat angles P-C4'-P energy: -29.392
tors. eta vs tors. theta energy: -49.475
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: 6
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -331.801945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.801945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.801945 (E_RNA)
where:
Base-Base interactions energy: -196.352
where: short stacking energy: -86.128
Base-Backbone interact. energy: 1.439
local terms energy: -136.889578
where:
bonds (distance) C4'-P energy: -37.308
bonds (distance) P-C4' energy: -33.825
flat angles C4'-P-C4' energy: -37.232
flat angles P-C4'-P energy: -18.532
tors. eta vs tors. theta energy: -9.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -186.201402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.201402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.201402 (E_RNA)
where:
Base-Base interactions energy: -75.217
where: short stacking energy: -45.316
Base-Backbone interact. energy: -0.803
local terms energy: -110.181566
where:
bonds (distance) C4'-P energy: -28.241
bonds (distance) P-C4' energy: -37.909
flat angles C4'-P-C4' energy: -31.769
flat angles P-C4'-P energy: -14.241
tors. eta vs tors. theta energy: 1.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -184.768146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.768146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.768146 (E_RNA)
where:
Base-Base interactions energy: -60.199
where: short stacking energy: -53.897
Base-Backbone interact. energy: -0.484
local terms energy: -124.084910
where:
bonds (distance) C4'-P energy: -33.050
bonds (distance) P-C4' energy: -38.084
flat angles C4'-P-C4' energy: -32.313
flat angles P-C4'-P energy: -19.761
tors. eta vs tors. theta energy: -0.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -161.548997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.548997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.548997 (E_RNA)
where:
Base-Base interactions energy: -57.366
where: short stacking energy: -49.203
Base-Backbone interact. energy: -0.955
local terms energy: -103.228221
where:
bonds (distance) C4'-P energy: -30.715
bonds (distance) P-C4' energy: -26.447
flat angles C4'-P-C4' energy: -24.197
flat angles P-C4'-P energy: -27.191
tors. eta vs tors. theta energy: 5.321
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: 486
Temperature: 0.900000
Total energy: -664.131377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.131377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.131377 (E_RNA)
where:
Base-Base interactions energy: -438.999
where: short stacking energy: -198.331
Base-Backbone interact. energy: -0.881
local terms energy: -224.251155
where:
bonds (distance) C4'-P energy: -39.831
bonds (distance) P-C4' energy: -43.092
flat angles C4'-P-C4' energy: -44.082
flat angles P-C4'-P energy: -29.632
tors. eta vs tors. theta energy: -67.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -635.523742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.523742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.523742 (E_RNA)
where:
Base-Base interactions energy: -422.165
where: short stacking energy: -194.870
Base-Backbone interact. energy: 0.054
local terms energy: -213.412215
where:
bonds (distance) C4'-P energy: -38.341
bonds (distance) P-C4' energy: -37.523
flat angles C4'-P-C4' energy: -41.842
flat angles P-C4'-P energy: -35.015
tors. eta vs tors. theta energy: -60.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -588.070865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.070865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.070865 (E_RNA)
where:
Base-Base interactions energy: -383.174
where: short stacking energy: -189.290
Base-Backbone interact. energy: -0.668
local terms energy: -204.229201
where:
bonds (distance) C4'-P energy: -33.025
bonds (distance) P-C4' energy: -41.714
flat angles C4'-P-C4' energy: -37.799
flat angles P-C4'-P energy: -26.367
tors. eta vs tors. theta energy: -65.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -571.205522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.205522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.205522 (E_RNA)
where:
Base-Base interactions energy: -372.988
where: short stacking energy: -180.573
Base-Backbone interact. energy: -0.015
local terms energy: -198.202623
where:
bonds (distance) C4'-P energy: -26.197
bonds (distance) P-C4' energy: -46.058
flat angles C4'-P-C4' energy: -42.392
flat angles P-C4'-P energy: -28.681
tors. eta vs tors. theta energy: -54.876
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: 5, replica: 1
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -589.500303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.500303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.500303 (E_RNA)
where:
Base-Base interactions energy: -387.561
where: short stacking energy: -180.272
Base-Backbone interact. energy: -0.122
local terms energy: -201.817590
where:
bonds (distance) C4'-P energy: -40.005
bonds (distance) P-C4' energy: -43.551
flat angles C4'-P-C4' energy: -40.366
flat angles P-C4'-P energy: -25.786
tors. eta vs tors. theta energy: -52.111
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: 6, replica: 7
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -558.378053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.378053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.378053 (E_RNA)
where:
Base-Base interactions energy: -375.816
where: short stacking energy: -156.803
Base-Backbone interact. energy: -0.664
local terms energy: -181.898082
where:
bonds (distance) C4'-P energy: -37.041
bonds (distance) P-C4' energy: -33.737
flat angles C4'-P-C4' energy: -32.466
flat angles P-C4'-P energy: -29.754
tors. eta vs tors. theta energy: -48.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -356.800195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.800195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.800195 (E_RNA)
where:
Base-Base interactions energy: -208.914
where: short stacking energy: -95.549
Base-Backbone interact. energy: -0.943
local terms energy: -146.943386
where:
bonds (distance) C4'-P energy: -31.623
bonds (distance) P-C4' energy: -35.015
flat angles C4'-P-C4' energy: -38.899
flat angles P-C4'-P energy: -23.823
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: 5
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -182.572862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.572862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.572862 (E_RNA)
where:
Base-Base interactions energy: -69.316
where: short stacking energy: -54.516
Base-Backbone interact. energy: 1.371
local terms energy: -114.627273
where:
bonds (distance) C4'-P energy: -23.095
bonds (distance) P-C4' energy: -36.295
flat angles C4'-P-C4' energy: -39.064
flat angles P-C4'-P energy: -15.553
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: 10
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -182.980896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.980896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.980896 (E_RNA)
where:
Base-Base interactions energy: -81.800
where: short stacking energy: -46.902
Base-Backbone interact. energy: -0.733
local terms energy: -100.447161
where:
bonds (distance) C4'-P energy: -26.426
bonds (distance) P-C4' energy: -26.633
flat angles C4'-P-C4' energy: -26.639
flat angles P-C4'-P energy: -26.296
tors. eta vs tors. theta energy: 5.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -156.363682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.363682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.363682 (E_RNA)
where:
Base-Base interactions energy: -62.091
where: short stacking energy: -60.842
Base-Backbone interact. energy: 1.487
local terms energy: -95.759660
where:
bonds (distance) C4'-P energy: -24.287
bonds (distance) P-C4' energy: -36.746
flat angles C4'-P-C4' energy: -15.227
flat angles P-C4'-P energy: -17.393
tors. eta vs tors. theta energy: -2.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -676.741197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.741197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.741197 (E_RNA)
where:
Base-Base interactions energy: -453.522
where: short stacking energy: -209.312
Base-Backbone interact. energy: -0.759
local terms energy: -222.461084
where:
bonds (distance) C4'-P energy: -38.439
bonds (distance) P-C4' energy: -43.003
flat angles C4'-P-C4' energy: -43.338
flat angles P-C4'-P energy: -32.175
tors. eta vs tors. theta energy: -65.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -620.438502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.438502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.438502 (E_RNA)
where:
Base-Base interactions energy: -420.740
where: short stacking energy: -180.230
Base-Backbone interact. energy: -0.037
local terms energy: -199.662259
where:
bonds (distance) C4'-P energy: -38.389
bonds (distance) P-C4' energy: -33.227
flat angles C4'-P-C4' energy: -43.154
flat angles P-C4'-P energy: -31.029
tors. eta vs tors. theta energy: -53.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -595.329759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.329759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.329759 (E_RNA)
where:
Base-Base interactions energy: -411.829
where: short stacking energy: -195.428
Base-Backbone interact. energy: -0.679
local terms energy: -182.821100
where:
bonds (distance) C4'-P energy: -31.430
bonds (distance) P-C4' energy: -24.836
flat angles C4'-P-C4' energy: -35.820
flat angles P-C4'-P energy: -34.660
tors. eta vs tors. theta energy: -56.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -601.226311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.226311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.226311 (E_RNA)
where:
Base-Base interactions energy: -399.532
where: short stacking energy: -188.072
Base-Backbone interact. energy: 0.115
local terms energy: -201.809304
where:
bonds (distance) C4'-P energy: -35.911
bonds (distance) P-C4' energy: -37.071
flat angles C4'-P-C4' energy: -40.758
flat angles P-C4'-P energy: -26.589
tors. eta vs tors. theta energy: -61.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -565.512782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.512782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.512782 (E_RNA)
where:
Base-Base interactions energy: -363.880
where: short stacking energy: -172.466
Base-Backbone interact. energy: -1.111
local terms energy: -200.522036
where:
bonds (distance) C4'-P energy: -36.307
bonds (distance) P-C4' energy: -35.757
flat angles C4'-P-C4' energy: -43.282
flat angles P-C4'-P energy: -29.527
tors. eta vs tors. theta energy: -55.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -541.425832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.425832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.425832 (E_RNA)
where:
Base-Base interactions energy: -347.641
where: short stacking energy: -168.694
Base-Backbone interact. energy: -0.561
local terms energy: -193.224140
where:
bonds (distance) C4'-P energy: -40.900
bonds (distance) P-C4' energy: -32.766
flat angles C4'-P-C4' energy: -40.557
flat angles P-C4'-P energy: -23.147
tors. eta vs tors. theta energy: -55.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -311.286640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.286640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.286640 (E_RNA)
where:
Base-Base interactions energy: -170.124
where: short stacking energy: -96.956
Base-Backbone interact. energy: -0.540
local terms energy: -140.622763
where:
bonds (distance) C4'-P energy: -33.645
bonds (distance) P-C4' energy: -34.540
flat angles C4'-P-C4' energy: -32.857
flat angles P-C4'-P energy: -19.071
tors. eta vs tors. theta energy: -20.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -206.977543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.977543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.977543 (E_RNA)
where:
Base-Base interactions energy: -75.265
where: short stacking energy: -59.729
Base-Backbone interact. energy: -0.563
local terms energy: -131.149666
where:
bonds (distance) C4'-P energy: -34.467
bonds (distance) P-C4' energy: -37.558
flat angles C4'-P-C4' energy: -27.615
flat angles P-C4'-P energy: -23.964
tors. eta vs tors. theta energy: -7.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -184.515475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.515475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.515475 (E_RNA)
where:
Base-Base interactions energy: -75.031
where: short stacking energy: -61.365
Base-Backbone interact. energy: -0.711
local terms energy: -108.773820
where:
bonds (distance) C4'-P energy: -29.596
bonds (distance) P-C4' energy: -31.460
flat angles C4'-P-C4' energy: -34.723
flat angles P-C4'-P energy: -15.472
tors. eta vs tors. theta energy: 2.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -179.036667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.036667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.036667 (E_RNA)
where:
Base-Base interactions energy: -68.770
where: short stacking energy: -59.812
Base-Backbone interact. energy: 1.088
local terms energy: -111.354343
where:
bonds (distance) C4'-P energy: -25.711
bonds (distance) P-C4' energy: -40.331
flat angles C4'-P-C4' energy: -26.174
flat angles P-C4'-P energy: -17.051
tors. eta vs tors. theta energy: -2.088
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: 4
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -664.935189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.935189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.935189 (E_RNA)
where:
Base-Base interactions energy: -443.959
where: short stacking energy: -207.635
Base-Backbone interact. energy: -0.283
local terms energy: -220.693369
where:
bonds (distance) C4'-P energy: -36.945
bonds (distance) P-C4' energy: -44.362
flat angles C4'-P-C4' energy: -42.125
flat angles P-C4'-P energy: -32.512
tors. eta vs tors. theta energy: -64.749
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: 488
Temperature: 0.950000
Total energy: -634.777002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.777002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.777002 (E_RNA)
where:
Base-Base interactions energy: -418.906
where: short stacking energy: -184.214
Base-Backbone interact. energy: 0.354
local terms energy: -216.224962
where:
bonds (distance) C4'-P energy: -37.808
bonds (distance) P-C4' energy: -41.109
flat angles C4'-P-C4' energy: -48.433
flat angles P-C4'-P energy: -32.880
tors. eta vs tors. theta energy: -55.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -602.791307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.791307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.791307 (E_RNA)
where:
Base-Base interactions energy: -390.098
where: short stacking energy: -174.941
Base-Backbone interact. energy: -0.792
local terms energy: -211.900788
where:
bonds (distance) C4'-P energy: -34.958
bonds (distance) P-C4' energy: -38.780
flat angles C4'-P-C4' energy: -40.002
flat angles P-C4'-P energy: -36.930
tors. eta vs tors. theta energy: -61.231
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: 1
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -608.868020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.868020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.868020 (E_RNA)
where:
Base-Base interactions energy: -404.815
where: short stacking energy: -180.841
Base-Backbone interact. energy: -0.775
local terms energy: -203.278171
where:
bonds (distance) C4'-P energy: -36.847
bonds (distance) P-C4' energy: -39.072
flat angles C4'-P-C4' energy: -43.235
flat angles P-C4'-P energy: -34.166
tors. eta vs tors. theta energy: -49.958
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: 5, replica: 7
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -579.010675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.010675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.010675 (E_RNA)
where:
Base-Base interactions energy: -376.742
where: short stacking energy: -175.241
Base-Backbone interact. energy: -0.463
local terms energy: -201.805773
where:
bonds (distance) C4'-P energy: -38.167
bonds (distance) P-C4' energy: -42.483
flat angles C4'-P-C4' energy: -38.525
flat angles P-C4'-P energy: -25.509
tors. eta vs tors. theta energy: -57.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -550.163748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.163748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.163748 (E_RNA)
where:
Base-Base interactions energy: -363.012
where: short stacking energy: -181.285
Base-Backbone interact. energy: -0.126
local terms energy: -187.026486
where:
bonds (distance) C4'-P energy: -36.272
bonds (distance) P-C4' energy: -34.826
flat angles C4'-P-C4' energy: -36.391
flat angles P-C4'-P energy: -29.270
tors. eta vs tors. theta energy: -50.269
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: 7, replica: 6
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -301.072970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.072970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.072970 (E_RNA)
where:
Base-Base interactions energy: -171.249
where: short stacking energy: -84.637
Base-Backbone interact. energy: -1.101
local terms energy: -128.722965
where:
bonds (distance) C4'-P energy: -39.654
bonds (distance) P-C4' energy: -25.931
flat angles C4'-P-C4' energy: -37.396
flat angles P-C4'-P energy: -20.087
tors. eta vs tors. theta energy: -5.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -188.209272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.209272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.209272 (E_RNA)
where:
Base-Base interactions energy: -80.504
where: short stacking energy: -46.603
Base-Backbone interact. energy: 1.391
local terms energy: -109.096129
where:
bonds (distance) C4'-P energy: -27.892
bonds (distance) P-C4' energy: -39.278
flat angles C4'-P-C4' energy: -32.348
flat angles P-C4'-P energy: -19.927
tors. eta vs tors. theta energy: 10.350
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: 488
Temperature: 1.300000
Total energy: -178.267345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.267345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.267345 (E_RNA)
where:
Base-Base interactions energy: -57.836
where: short stacking energy: -41.722
Base-Backbone interact. energy: 1.953
local terms energy: -122.384398
where:
bonds (distance) C4'-P energy: -43.270
bonds (distance) P-C4' energy: -30.455
flat angles C4'-P-C4' energy: -36.773
flat angles P-C4'-P energy: -20.261
tors. eta vs tors. theta energy: 8.375
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: 10, replica: 3
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -161.569193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.569193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.569193 (E_RNA)
where:
Base-Base interactions energy: -40.990
where: short stacking energy: -34.669
Base-Backbone interact. energy: -1.710
local terms energy: -118.868974
where:
bonds (distance) C4'-P energy: -21.791
bonds (distance) P-C4' energy: -38.970
flat angles C4'-P-C4' energy: -38.746
flat angles P-C4'-P energy: -13.772
tors. eta vs tors. theta energy: -5.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -642.922346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.922346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.922346 (E_RNA)
where:
Base-Base interactions energy: -438.256
where: short stacking energy: -199.489
Base-Backbone interact. energy: -0.804
local terms energy: -203.862627
where:
bonds (distance) C4'-P energy: -36.413
bonds (distance) P-C4' energy: -39.177
flat angles C4'-P-C4' energy: -43.008
flat angles P-C4'-P energy: -33.424
tors. eta vs tors. theta energy: -51.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -629.460821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.460821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.460821 (E_RNA)
where:
Base-Base interactions energy: -420.872
where: short stacking energy: -171.495
Base-Backbone interact. energy: -0.120
local terms energy: -208.468638
where:
bonds (distance) C4'-P energy: -44.280
bonds (distance) P-C4' energy: -40.218
flat angles C4'-P-C4' energy: -40.083
flat angles P-C4'-P energy: -27.445
tors. eta vs tors. theta energy: -56.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -605.484846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.484846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.484846 (E_RNA)
where:
Base-Base interactions energy: -393.160
where: short stacking energy: -200.803
Base-Backbone interact. energy: 0.373
local terms energy: -212.697291
where:
bonds (distance) C4'-P energy: -40.304
bonds (distance) P-C4' energy: -40.073
flat angles C4'-P-C4' energy: -48.348
flat angles P-C4'-P energy: -24.182
tors. eta vs tors. theta energy: -59.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -602.044778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.044778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.044778 (E_RNA)
where:
Base-Base interactions energy: -400.021
where: short stacking energy: -192.891
Base-Backbone interact. energy: -0.333
local terms energy: -201.690724
where:
bonds (distance) C4'-P energy: -34.770
bonds (distance) P-C4' energy: -39.047
flat angles C4'-P-C4' energy: -40.382
flat angles P-C4'-P energy: -28.066
tors. eta vs tors. theta energy: -59.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -582.516351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.516351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.516351 (E_RNA)
where:
Base-Base interactions energy: -392.619
where: short stacking energy: -176.738
Base-Backbone interact. energy: -0.469
local terms energy: -189.428663
where:
bonds (distance) C4'-P energy: -28.450
bonds (distance) P-C4' energy: -37.910
flat angles C4'-P-C4' energy: -37.647
flat angles P-C4'-P energy: -32.694
tors. eta vs tors. theta energy: -52.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -544.538321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.538321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.538321 (E_RNA)
where:
Base-Base interactions energy: -354.682
where: short stacking energy: -172.221
Base-Backbone interact. energy: -0.235
local terms energy: -189.621851
where:
bonds (distance) C4'-P energy: -35.121
bonds (distance) P-C4' energy: -35.977
flat angles C4'-P-C4' energy: -45.056
flat angles P-C4'-P energy: -23.441
tors. eta vs tors. theta energy: -50.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -354.245076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.245076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.245076 (E_RNA)
where:
Base-Base interactions energy: -211.338
where: short stacking energy: -108.648
Base-Backbone interact. energy: -2.057
local terms energy: -140.850467
where:
bonds (distance) C4'-P energy: -27.236
bonds (distance) P-C4' energy: -34.850
flat angles C4'-P-C4' energy: -32.126
flat angles P-C4'-P energy: -27.783
tors. eta vs tors. theta energy: -18.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -195.431410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.431410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.431410 (E_RNA)
where:
Base-Base interactions energy: -66.303
where: short stacking energy: -66.303
Base-Backbone interact. energy: -0.505
local terms energy: -128.623531
where:
bonds (distance) C4'-P energy: -35.099
bonds (distance) P-C4' energy: -38.235
flat angles C4'-P-C4' energy: -32.374
flat angles P-C4'-P energy: -15.322
tors. eta vs tors. theta energy: -7.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -176.460784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.460784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.460784 (E_RNA)
where:
Base-Base interactions energy: -79.757
where: short stacking energy: -51.378
Base-Backbone interact. energy: -0.776
local terms energy: -95.927457
where:
bonds (distance) C4'-P energy: -23.450
bonds (distance) P-C4' energy: -31.573
flat angles C4'-P-C4' energy: -20.094
flat angles P-C4'-P energy: -22.682
tors. eta vs tors. theta energy: 1.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -180.289615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.289615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.289615 (E_RNA)
where:
Base-Base interactions energy: -58.000
where: short stacking energy: -41.392
Base-Backbone interact. energy: 1.189
local terms energy: -123.478595
where:
bonds (distance) C4'-P energy: -27.907
bonds (distance) P-C4' energy: -32.220
flat angles C4'-P-C4' energy: -39.004
flat angles P-C4'-P energy: -26.931
tors. eta vs tors. theta energy: 2.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -646.056659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.056659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.056659 (E_RNA)
where:
Base-Base interactions energy: -449.073
where: short stacking energy: -173.147
Base-Backbone interact. energy: -0.489
local terms energy: -196.493903
where:
bonds (distance) C4'-P energy: -42.363
bonds (distance) P-C4' energy: -37.306
flat angles C4'-P-C4' energy: -45.870
flat angles P-C4'-P energy: -25.302
tors. eta vs tors. theta energy: -45.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -652.368078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.368078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.368078 (E_RNA)
where:
Base-Base interactions energy: -422.090
where: short stacking energy: -205.906
Base-Backbone interact. energy: -0.366
local terms energy: -229.911473
where:
bonds (distance) C4'-P energy: -45.562
bonds (distance) P-C4' energy: -36.026
flat angles C4'-P-C4' energy: -46.499
flat angles P-C4'-P energy: -35.255
tors. eta vs tors. theta energy: -66.570
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: 1
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -617.642578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.642578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.642578 (E_RNA)
where:
Base-Base interactions energy: -426.792
where: short stacking energy: -177.600
Base-Backbone interact. energy: -0.741
local terms energy: -190.109923
where:
bonds (distance) C4'-P energy: -30.633
bonds (distance) P-C4' energy: -38.289
flat angles C4'-P-C4' energy: -42.140
flat angles P-C4'-P energy: -29.904
tors. eta vs tors. theta energy: -49.144
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: 8
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -580.482728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.482728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.482728 (E_RNA)
where:
Base-Base interactions energy: -370.488
where: short stacking energy: -171.156
Base-Backbone interact. energy: -0.567
local terms energy: -209.428064
where:
bonds (distance) C4'-P energy: -45.598
bonds (distance) P-C4' energy: -41.301
flat angles C4'-P-C4' energy: -44.163
flat angles P-C4'-P energy: -22.050
tors. eta vs tors. theta energy: -56.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -568.329427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.329427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.329427 (E_RNA)
where:
Base-Base interactions energy: -379.407
where: short stacking energy: -166.168
Base-Backbone interact. energy: -0.167
local terms energy: -188.755501
where:
bonds (distance) C4'-P energy: -34.960
bonds (distance) P-C4' energy: -29.264
flat angles C4'-P-C4' energy: -38.851
flat angles P-C4'-P energy: -35.292
tors. eta vs tors. theta energy: -50.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -551.488518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.488518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.488518 (E_RNA)
where:
Base-Base interactions energy: -370.700
where: short stacking energy: -171.590
Base-Backbone interact. energy: -0.935
local terms energy: -179.853656
where:
bonds (distance) C4'-P energy: -36.577
bonds (distance) P-C4' energy: -33.393
flat angles C4'-P-C4' energy: -39.875
flat angles P-C4'-P energy: -19.202
tors. eta vs tors. theta energy: -50.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -352.698813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.698813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.698813 (E_RNA)
where:
Base-Base interactions energy: -217.926
where: short stacking energy: -82.930
Base-Backbone interact. energy: -1.150
local terms energy: -133.623599
where:
bonds (distance) C4'-P energy: -31.100
bonds (distance) P-C4' energy: -38.644
flat angles C4'-P-C4' energy: -31.692
flat angles P-C4'-P energy: -16.551
tors. eta vs tors. theta energy: -15.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -189.719161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.719161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.719161 (E_RNA)
where:
Base-Base interactions energy: -68.255
where: short stacking energy: -51.764
Base-Backbone interact. energy: -0.332
local terms energy: -121.132329
where:
bonds (distance) C4'-P energy: -41.701
bonds (distance) P-C4' energy: -40.697
flat angles C4'-P-C4' energy: -30.134
flat angles P-C4'-P energy: -10.819
tors. eta vs tors. theta energy: 2.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -186.577751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.577751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.577751 (E_RNA)
where:
Base-Base interactions energy: -59.012
where: short stacking energy: -47.179
Base-Backbone interact. energy: 0.763
local terms energy: -128.328641
where:
bonds (distance) C4'-P energy: -38.915
bonds (distance) P-C4' energy: -31.707
flat angles C4'-P-C4' energy: -31.192
flat angles P-C4'-P energy: -25.519
tors. eta vs tors. theta energy: -0.996
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: 10, replica: 10
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -190.959944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.959944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.959944 (E_RNA)
where:
Base-Base interactions energy: -87.058
where: short stacking energy: -54.999
Base-Backbone interact. energy: 3.428
local terms energy: -107.330458
where:
bonds (distance) C4'-P energy: -30.101
bonds (distance) P-C4' energy: -39.588
flat angles C4'-P-C4' energy: -31.670
flat angles P-C4'-P energy: -8.415
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: 2
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -641.347415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.347415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.347415 (E_RNA)
where:
Base-Base interactions energy: -421.897
where: short stacking energy: -183.997
Base-Backbone interact. energy: 0.840
local terms energy: -220.290307
where:
bonds (distance) C4'-P energy: -43.134
bonds (distance) P-C4' energy: -44.649
flat angles C4'-P-C4' energy: -47.124
flat angles P-C4'-P energy: -31.170
tors. eta vs tors. theta energy: -54.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -623.378868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.378868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.378868 (E_RNA)
where:
Base-Base interactions energy: -415.161
where: short stacking energy: -181.239
Base-Backbone interact. energy: -0.055
local terms energy: -208.162280
where:
bonds (distance) C4'-P energy: -37.468
bonds (distance) P-C4' energy: -37.562
flat angles C4'-P-C4' energy: -46.742
flat angles P-C4'-P energy: -29.809
tors. eta vs tors. theta energy: -56.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -625.081377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.081377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.081377 (E_RNA)
where:
Base-Base interactions energy: -420.872
where: short stacking energy: -196.288
Base-Backbone interact. energy: -0.942
local terms energy: -203.267207
where:
bonds (distance) C4'-P energy: -33.332
bonds (distance) P-C4' energy: -38.071
flat angles C4'-P-C4' energy: -47.148
flat angles P-C4'-P energy: -28.205
tors. eta vs tors. theta energy: -56.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -587.546368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.546368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.546368 (E_RNA)
where:
Base-Base interactions energy: -381.032
where: short stacking energy: -188.403
Base-Backbone interact. energy: -0.213
local terms energy: -206.302111
where:
bonds (distance) C4'-P energy: -33.149
bonds (distance) P-C4' energy: -39.296
flat angles C4'-P-C4' energy: -46.636
flat angles P-C4'-P energy: -27.520
tors. eta vs tors. theta energy: -59.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -548.410697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.410697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.410697 (E_RNA)
where:
Base-Base interactions energy: -361.889
where: short stacking energy: -184.481
Base-Backbone interact. energy: -0.010
local terms energy: -186.511842
where:
bonds (distance) C4'-P energy: -28.005
bonds (distance) P-C4' energy: -32.797
flat angles C4'-P-C4' energy: -45.913
flat angles P-C4'-P energy: -24.817
tors. eta vs tors. theta energy: -54.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -545.286932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.286932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.286932 (E_RNA)
where:
Base-Base interactions energy: -371.726
where: short stacking energy: -171.928
Base-Backbone interact. energy: 0.852
local terms energy: -174.412926
where:
bonds (distance) C4'-P energy: -23.851
bonds (distance) P-C4' energy: -35.361
flat angles C4'-P-C4' energy: -37.981
flat angles P-C4'-P energy: -25.349
tors. eta vs tors. theta energy: -51.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -372.934244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.934244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.934244 (E_RNA)
where:
Base-Base interactions energy: -220.300
where: short stacking energy: -103.507
Base-Backbone interact. energy: -0.220
local terms energy: -152.414503
where:
bonds (distance) C4'-P energy: -37.238
bonds (distance) P-C4' energy: -33.299
flat angles C4'-P-C4' energy: -30.010
flat angles P-C4'-P energy: -33.754
tors. eta vs tors. theta energy: -18.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -180.918397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.918397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.918397 (E_RNA)
where:
Base-Base interactions energy: -56.907
where: short stacking energy: -51.372
Base-Backbone interact. energy: -1.662
local terms energy: -122.350153
where:
bonds (distance) C4'-P energy: -29.904
bonds (distance) P-C4' energy: -33.626
flat angles C4'-P-C4' energy: -34.327
flat angles P-C4'-P energy: -29.224
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: 491
Temperature: 1.300000
Total energy: -185.345982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.345982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.345982 (E_RNA)
where:
Base-Base interactions energy: -55.761
where: short stacking energy: -52.501
Base-Backbone interact. energy: 0.166
local terms energy: -129.750881
where:
bonds (distance) C4'-P energy: -29.311
bonds (distance) P-C4' energy: -43.416
flat angles C4'-P-C4' energy: -31.960
flat angles P-C4'-P energy: -17.755
tors. eta vs tors. theta energy: -7.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -179.751686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.751686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.751686 (E_RNA)
where:
Base-Base interactions energy: -51.519
where: short stacking energy: -48.644
Base-Backbone interact. energy: -0.386
local terms energy: -127.846170
where:
bonds (distance) C4'-P energy: -41.655
bonds (distance) P-C4' energy: -45.833
flat angles C4'-P-C4' energy: -34.684
flat angles P-C4'-P energy: -13.946
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: 1, replica: 1
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -652.554798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.554798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.554798 (E_RNA)
where:
Base-Base interactions energy: -435.012
where: short stacking energy: -187.471
Base-Backbone interact. energy: -0.710
local terms energy: -216.833571
where:
bonds (distance) C4'-P energy: -40.359
bonds (distance) P-C4' energy: -37.412
flat angles C4'-P-C4' energy: -48.061
flat angles P-C4'-P energy: -32.375
tors. eta vs tors. theta energy: -58.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -654.202755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.202755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.202755 (E_RNA)
where:
Base-Base interactions energy: -448.155
where: short stacking energy: -192.869
Base-Backbone interact. energy: -1.081
local terms energy: -204.966768
where:
bonds (distance) C4'-P energy: -37.085
bonds (distance) P-C4' energy: -39.187
flat angles C4'-P-C4' energy: -41.870
flat angles P-C4'-P energy: -23.723
tors. eta vs tors. theta energy: -63.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -622.630625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.630625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.630625 (E_RNA)
where:
Base-Base interactions energy: -416.501
where: short stacking energy: -192.035
Base-Backbone interact. energy: -0.153
local terms energy: -205.975752
where:
bonds (distance) C4'-P energy: -39.019
bonds (distance) P-C4' energy: -29.885
flat angles C4'-P-C4' energy: -45.133
flat angles P-C4'-P energy: -31.409
tors. eta vs tors. theta energy: -60.530
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: 8
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -591.281433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.281433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.281433 (E_RNA)
where:
Base-Base interactions energy: -385.354
where: short stacking energy: -181.728
Base-Backbone interact. energy: -0.712
local terms energy: -205.215834
where:
bonds (distance) C4'-P energy: -38.568
bonds (distance) P-C4' energy: -38.082
flat angles C4'-P-C4' energy: -44.054
flat angles P-C4'-P energy: -27.326
tors. eta vs tors. theta energy: -57.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -573.068482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.068482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.068482 (E_RNA)
where:
Base-Base interactions energy: -364.777
where: short stacking energy: -180.608
Base-Backbone interact. energy: -0.481
local terms energy: -207.810941
where:
bonds (distance) C4'-P energy: -35.121
bonds (distance) P-C4' energy: -43.853
flat angles C4'-P-C4' energy: -42.662
flat angles P-C4'-P energy: -27.038
tors. eta vs tors. theta energy: -59.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -539.626121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.626121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.626121 (E_RNA)
where:
Base-Base interactions energy: -355.842
where: short stacking energy: -167.259
Base-Backbone interact. energy: -0.344
local terms energy: -183.440574
where:
bonds (distance) C4'-P energy: -33.993
bonds (distance) P-C4' energy: -34.830
flat angles C4'-P-C4' energy: -35.132
flat angles P-C4'-P energy: -29.809
tors. eta vs tors. theta energy: -49.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -421.500118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.500118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.500118 (E_RNA)
where:
Base-Base interactions energy: -269.961
where: short stacking energy: -123.403
Base-Backbone interact. energy: -0.315
local terms energy: -151.223500
where:
bonds (distance) C4'-P energy: -31.107
bonds (distance) P-C4' energy: -24.913
flat angles C4'-P-C4' energy: -39.282
flat angles P-C4'-P energy: -26.775
tors. eta vs tors. theta energy: -29.147
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: 3
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -190.916864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.916864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.916864 (E_RNA)
where:
Base-Base interactions energy: -68.549
where: short stacking energy: -44.140
Base-Backbone interact. energy: 1.158
local terms energy: -123.525123
where:
bonds (distance) C4'-P energy: -38.497
bonds (distance) P-C4' energy: -32.887
flat angles C4'-P-C4' energy: -33.963
flat angles P-C4'-P energy: -19.449
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: 9, replica: 10
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -175.488974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.488974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.488974 (E_RNA)
where:
Base-Base interactions energy: -66.953
where: short stacking energy: -51.809
Base-Backbone interact. energy: -2.503
local terms energy: -106.032627
where:
bonds (distance) C4'-P energy: -34.058
bonds (distance) P-C4' energy: -29.327
flat angles C4'-P-C4' energy: -27.843
flat angles P-C4'-P energy: -25.849
tors. eta vs tors. theta energy: 11.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -181.779428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.779428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.779428 (E_RNA)
where:
Base-Base interactions energy: -68.363
where: short stacking energy: -54.271
Base-Backbone interact. energy: -0.272
local terms energy: -113.144496
where:
bonds (distance) C4'-P energy: -32.901
bonds (distance) P-C4' energy: -33.244
flat angles C4'-P-C4' energy: -27.628
flat angles P-C4'-P energy: -25.563
tors. eta vs tors. theta energy: 6.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -651.784120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.784120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.784120 (E_RNA)
where:
Base-Base interactions energy: -437.164
where: short stacking energy: -193.507
Base-Backbone interact. energy: 1.164
local terms energy: -215.783680
where:
bonds (distance) C4'-P energy: -45.064
bonds (distance) P-C4' energy: -36.922
flat angles C4'-P-C4' energy: -44.912
flat angles P-C4'-P energy: -32.710
tors. eta vs tors. theta energy: -56.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -652.706996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.706996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.706996 (E_RNA)
where:
Base-Base interactions energy: -438.082
where: short stacking energy: -192.615
Base-Backbone interact. energy: 0.384
local terms energy: -215.008678
where:
bonds (distance) C4'-P energy: -35.575
bonds (distance) P-C4' energy: -37.659
flat angles C4'-P-C4' energy: -46.989
flat angles P-C4'-P energy: -30.216
tors. eta vs tors. theta energy: -64.570
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: 4
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -627.698384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.698384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.698384 (E_RNA)
where:
Base-Base interactions energy: -424.236
where: short stacking energy: -192.555
Base-Backbone interact. energy: 0.186
local terms energy: -203.648954
where:
bonds (distance) C4'-P energy: -37.338
bonds (distance) P-C4' energy: -36.369
flat angles C4'-P-C4' energy: -44.786
flat angles P-C4'-P energy: -28.553
tors. eta vs tors. theta energy: -56.603
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: 9
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -561.643660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.643660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.643660 (E_RNA)
where:
Base-Base interactions energy: -360.019
where: short stacking energy: -171.313
Base-Backbone interact. energy: -0.080
local terms energy: -201.544268
where:
bonds (distance) C4'-P energy: -24.718
bonds (distance) P-C4' energy: -43.314
flat angles C4'-P-C4' energy: -42.904
flat angles P-C4'-P energy: -37.854
tors. eta vs tors. theta energy: -52.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -553.430706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.430706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.430706 (E_RNA)
where:
Base-Base interactions energy: -366.164
where: short stacking energy: -180.137
Base-Backbone interact. energy: -0.246
local terms energy: -187.020846
where:
bonds (distance) C4'-P energy: -42.339
bonds (distance) P-C4' energy: -32.893
flat angles C4'-P-C4' energy: -44.734
flat angles P-C4'-P energy: -19.587
tors. eta vs tors. theta energy: -47.468
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: 6, replica: 7
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -548.291251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.291251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.291251 (E_RNA)
where:
Base-Base interactions energy: -351.716
where: short stacking energy: -172.274
Base-Backbone interact. energy: -0.495
local terms energy: -196.080829
where:
bonds (distance) C4'-P energy: -34.474
bonds (distance) P-C4' energy: -38.673
flat angles C4'-P-C4' energy: -42.285
flat angles P-C4'-P energy: -30.695
tors. eta vs tors. theta energy: -49.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -453.870349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.870349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.870349 (E_RNA)
where:
Base-Base interactions energy: -281.022
where: short stacking energy: -112.312
Base-Backbone interact. energy: -1.328
local terms energy: -171.520498
where:
bonds (distance) C4'-P energy: -34.006
bonds (distance) P-C4' energy: -43.921
flat angles C4'-P-C4' energy: -48.137
flat angles P-C4'-P energy: -26.579
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: 8, replica: 10
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -212.079451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.079451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.079451 (E_RNA)
where:
Base-Base interactions energy: -91.808
where: short stacking energy: -53.047
Base-Backbone interact. energy: -1.076
local terms energy: -119.195670
where:
bonds (distance) C4'-P energy: -34.200
bonds (distance) P-C4' energy: -34.558
flat angles C4'-P-C4' energy: -32.080
flat angles P-C4'-P energy: -17.709
tors. eta vs tors. theta energy: -0.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -177.511140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.511140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.511140 (E_RNA)
where:
Base-Base interactions energy: -55.620
where: short stacking energy: -53.328
Base-Backbone interact. energy: 0.007
local terms energy: -121.898331
where:
bonds (distance) C4'-P energy: -30.862
bonds (distance) P-C4' energy: -30.311
flat angles C4'-P-C4' energy: -33.373
flat angles P-C4'-P energy: -27.265
tors. eta vs tors. theta energy: -0.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -167.937014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.937014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.937014 (E_RNA)
where:
Base-Base interactions energy: -45.569
where: short stacking energy: -43.398
Base-Backbone interact. energy: -0.999
local terms energy: -121.368668
where:
bonds (distance) C4'-P energy: -36.398
bonds (distance) P-C4' energy: -37.570
flat angles C4'-P-C4' energy: -42.106
flat angles P-C4'-P energy: -16.647
tors. eta vs tors. theta energy: 11.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -668.935382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.935382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.935382 (E_RNA)
where:
Base-Base interactions energy: -440.368
where: short stacking energy: -188.775
Base-Backbone interact. energy: -0.826
local terms energy: -227.741360
where:
bonds (distance) C4'-P energy: -44.446
bonds (distance) P-C4' energy: -44.953
flat angles C4'-P-C4' energy: -45.164
flat angles P-C4'-P energy: -31.648
tors. eta vs tors. theta energy: -61.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -651.683766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.683766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.683766 (E_RNA)
where:
Base-Base interactions energy: -441.175
where: short stacking energy: -189.530
Base-Backbone interact. energy: 0.422
local terms energy: -210.931676
where:
bonds (distance) C4'-P energy: -40.621
bonds (distance) P-C4' energy: -40.127
flat angles C4'-P-C4' energy: -42.768
flat angles P-C4'-P energy: -30.898
tors. eta vs tors. theta energy: -56.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -644.526099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.526099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.526099 (E_RNA)
where:
Base-Base interactions energy: -434.942
where: short stacking energy: -193.374
Base-Backbone interact. energy: -1.006
local terms energy: -208.578041
where:
bonds (distance) C4'-P energy: -38.782
bonds (distance) P-C4' energy: -34.493
flat angles C4'-P-C4' energy: -43.377
flat angles P-C4'-P energy: -33.994
tors. eta vs tors. theta energy: -57.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -593.116635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.116635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.116635 (E_RNA)
where:
Base-Base interactions energy: -376.432
where: short stacking energy: -185.699
Base-Backbone interact. energy: -0.097
local terms energy: -216.587000
where:
bonds (distance) C4'-P energy: -41.616
bonds (distance) P-C4' energy: -36.849
flat angles C4'-P-C4' energy: -46.303
flat angles P-C4'-P energy: -28.654
tors. eta vs tors. theta energy: -63.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -549.181724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.181724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.181724 (E_RNA)
where:
Base-Base interactions energy: -367.309
where: short stacking energy: -168.796
Base-Backbone interact. energy: 0.013
local terms energy: -181.885195
where:
bonds (distance) C4'-P energy: -29.994
bonds (distance) P-C4' energy: -41.988
flat angles C4'-P-C4' energy: -40.579
flat angles P-C4'-P energy: -18.529
tors. eta vs tors. theta energy: -50.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -570.281677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.281677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.281677 (E_RNA)
where:
Base-Base interactions energy: -366.308
where: short stacking energy: -176.421
Base-Backbone interact. energy: -0.346
local terms energy: -203.626884
where:
bonds (distance) C4'-P energy: -40.373
bonds (distance) P-C4' energy: -39.566
flat angles C4'-P-C4' energy: -40.686
flat angles P-C4'-P energy: -31.707
tors. eta vs tors. theta energy: -51.295
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: 6
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -441.085092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.085092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.085092 (E_RNA)
where:
Base-Base interactions energy: -285.452
where: short stacking energy: -124.504
Base-Backbone interact. energy: -0.802
local terms energy: -154.831080
where:
bonds (distance) C4'-P energy: -30.496
bonds (distance) P-C4' energy: -34.616
flat angles C4'-P-C4' energy: -36.920
flat angles P-C4'-P energy: -22.339
tors. eta vs tors. theta energy: -30.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -224.394695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.394695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.394695 (E_RNA)
where:
Base-Base interactions energy: -85.663
where: short stacking energy: -57.024
Base-Backbone interact. energy: -1.214
local terms energy: -137.517451
where:
bonds (distance) C4'-P energy: -40.048
bonds (distance) P-C4' energy: -34.551
flat angles C4'-P-C4' energy: -33.185
flat angles P-C4'-P energy: -24.058
tors. eta vs tors. theta energy: -5.675
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: 9, replica: 3
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -184.937369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.937369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.937369 (E_RNA)
where:
Base-Base interactions energy: -58.907
where: short stacking energy: -58.147
Base-Backbone interact. energy: 0.123
local terms energy: -126.152857
where:
bonds (distance) C4'-P energy: -37.122
bonds (distance) P-C4' energy: -36.909
flat angles C4'-P-C4' energy: -27.746
flat angles P-C4'-P energy: -18.284
tors. eta vs tors. theta energy: -6.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -165.120828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.120828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.120828 (E_RNA)
where:
Base-Base interactions energy: -50.618
where: short stacking energy: -42.527
Base-Backbone interact. energy: -1.119
local terms energy: -113.383699
where:
bonds (distance) C4'-P energy: -32.530
bonds (distance) P-C4' energy: -27.278
flat angles C4'-P-C4' energy: -24.589
flat angles P-C4'-P energy: -27.997
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: 495
Temperature: 0.900000
Total energy: -654.118117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.118117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.118117 (E_RNA)
where:
Base-Base interactions energy: -453.113
where: short stacking energy: -183.601
Base-Backbone interact. energy: 2.369
local terms energy: -203.373838
where:
bonds (distance) C4'-P energy: -38.419
bonds (distance) P-C4' energy: -35.752
flat angles C4'-P-C4' energy: -43.682
flat angles P-C4'-P energy: -29.434
tors. eta vs tors. theta energy: -56.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -645.189208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.189208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.189208 (E_RNA)
where:
Base-Base interactions energy: -440.483
where: short stacking energy: -190.638
Base-Backbone interact. energy: -0.332
local terms energy: -204.373244
where:
bonds (distance) C4'-P energy: -36.874
bonds (distance) P-C4' energy: -32.278
flat angles C4'-P-C4' energy: -43.317
flat angles P-C4'-P energy: -34.827
tors. eta vs tors. theta energy: -57.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -626.500359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.500359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.500359 (E_RNA)
where:
Base-Base interactions energy: -430.481
where: short stacking energy: -190.419
Base-Backbone interact. energy: -0.061
local terms energy: -195.958025
where:
bonds (distance) C4'-P energy: -37.934
bonds (distance) P-C4' energy: -34.299
flat angles C4'-P-C4' energy: -45.084
flat angles P-C4'-P energy: -24.537
tors. eta vs tors. theta energy: -54.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -551.246739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.246739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.246739 (E_RNA)
where:
Base-Base interactions energy: -356.283
where: short stacking energy: -170.502
Base-Backbone interact. energy: -1.049
local terms energy: -193.914753
where:
bonds (distance) C4'-P energy: -36.077
bonds (distance) P-C4' energy: -33.978
flat angles C4'-P-C4' energy: -37.779
flat angles P-C4'-P energy: -32.061
tors. eta vs tors. theta energy: -54.020
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: 9
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -553.615201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.615201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.615201 (E_RNA)
where:
Base-Base interactions energy: -373.083
where: short stacking energy: -173.963
Base-Backbone interact. energy: -1.294
local terms energy: -179.239086
where:
bonds (distance) C4'-P energy: -37.672
bonds (distance) P-C4' energy: -32.468
flat angles C4'-P-C4' energy: -36.691
flat angles P-C4'-P energy: -24.696
tors. eta vs tors. theta energy: -47.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -541.444278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.444278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.444278 (E_RNA)
where:
Base-Base interactions energy: -345.433
where: short stacking energy: -169.821
Base-Backbone interact. energy: -0.180
local terms energy: -195.831111
where:
bonds (distance) C4'-P energy: -36.501
bonds (distance) P-C4' energy: -33.537
flat angles C4'-P-C4' energy: -37.224
flat angles P-C4'-P energy: -31.968
tors. eta vs tors. theta energy: -56.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -423.136974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.136974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.136974 (E_RNA)
where:
Base-Base interactions energy: -260.316
where: short stacking energy: -107.640
Base-Backbone interact. energy: -1.288
local terms energy: -161.533637
where:
bonds (distance) C4'-P energy: -33.692
bonds (distance) P-C4' energy: -36.089
flat angles C4'-P-C4' energy: -32.964
flat angles P-C4'-P energy: -29.891
tors. eta vs tors. theta energy: -28.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -237.872045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.872045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.872045 (E_RNA)
where:
Base-Base interactions energy: -112.158
where: short stacking energy: -71.092
Base-Backbone interact. energy: -0.541
local terms energy: -125.173304
where:
bonds (distance) C4'-P energy: -35.179
bonds (distance) P-C4' energy: -28.079
flat angles C4'-P-C4' energy: -20.549
flat angles P-C4'-P energy: -22.669
tors. eta vs tors. theta energy: -18.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -193.354569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.354569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.354569 (E_RNA)
where:
Base-Base interactions energy: -68.470
where: short stacking energy: -56.168
Base-Backbone interact. energy: -0.631
local terms energy: -124.253892
where:
bonds (distance) C4'-P energy: -40.352
bonds (distance) P-C4' energy: -44.518
flat angles C4'-P-C4' energy: -15.770
flat angles P-C4'-P energy: -18.956
tors. eta vs tors. theta energy: -4.658
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: 5
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -175.435734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.435734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.435734 (E_RNA)
where:
Base-Base interactions energy: -71.974
where: short stacking energy: -51.227
Base-Backbone interact. energy: -0.031
local terms energy: -103.430207
where:
bonds (distance) C4'-P energy: -32.316
bonds (distance) P-C4' energy: -25.405
flat angles C4'-P-C4' energy: -23.362
flat angles P-C4'-P energy: -23.409
tors. eta vs tors. theta energy: 1.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -658.135354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.135354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.135354 (E_RNA)
where:
Base-Base interactions energy: -441.361
where: short stacking energy: -185.997
Base-Backbone interact. energy: -0.562
local terms energy: -216.212110
where:
bonds (distance) C4'-P energy: -39.673
bonds (distance) P-C4' energy: -45.773
flat angles C4'-P-C4' energy: -42.810
flat angles P-C4'-P energy: -27.370
tors. eta vs tors. theta energy: -60.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -644.118912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.118912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.118912 (E_RNA)
where:
Base-Base interactions energy: -439.790
where: short stacking energy: -175.853
Base-Backbone interact. energy: -0.903
local terms energy: -203.425381
where:
bonds (distance) C4'-P energy: -41.403
bonds (distance) P-C4' energy: -37.450
flat angles C4'-P-C4' energy: -43.466
flat angles P-C4'-P energy: -32.623
tors. eta vs tors. theta energy: -48.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -626.920310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.920310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.920310 (E_RNA)
where:
Base-Base interactions energy: -415.800
where: short stacking energy: -181.548
Base-Backbone interact. energy: -0.080
local terms energy: -211.039959
where:
bonds (distance) C4'-P energy: -38.423
bonds (distance) P-C4' energy: -46.716
flat angles C4'-P-C4' energy: -41.825
flat angles P-C4'-P energy: -28.205
tors. eta vs tors. theta energy: -55.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -566.323289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.323289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.323289 (E_RNA)
where:
Base-Base interactions energy: -375.060
where: short stacking energy: -178.911
Base-Backbone interact. energy: -0.227
local terms energy: -191.035914
where:
bonds (distance) C4'-P energy: -38.948
bonds (distance) P-C4' energy: -37.996
flat angles C4'-P-C4' energy: -40.320
flat angles P-C4'-P energy: -17.064
tors. eta vs tors. theta energy: -56.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -547.887659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.887659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.887659 (E_RNA)
where:
Base-Base interactions energy: -349.507
where: short stacking energy: -173.906
Base-Backbone interact. energy: -0.627
local terms energy: -197.754307
where:
bonds (distance) C4'-P energy: -37.408
bonds (distance) P-C4' energy: -31.810
flat angles C4'-P-C4' energy: -47.073
flat angles P-C4'-P energy: -29.560
tors. eta vs tors. theta energy: -51.903
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: 9
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -540.328420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.328420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.328420 (E_RNA)
where:
Base-Base interactions energy: -346.365
where: short stacking energy: -171.255
Base-Backbone interact. energy: 2.306
local terms energy: -196.269473
where:
bonds (distance) C4'-P energy: -43.075
bonds (distance) P-C4' energy: -39.118
flat angles C4'-P-C4' energy: -40.184
flat angles P-C4'-P energy: -23.016
tors. eta vs tors. theta energy: -50.877
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: 6
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -468.912219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.912219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.912219 (E_RNA)
where:
Base-Base interactions energy: -302.336
where: short stacking energy: -131.410
Base-Backbone interact. energy: -0.458
local terms energy: -166.118167
where:
bonds (distance) C4'-P energy: -27.506
bonds (distance) P-C4' energy: -35.383
flat angles C4'-P-C4' energy: -41.184
flat angles P-C4'-P energy: -25.471
tors. eta vs tors. theta energy: -36.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -205.594707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.594707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.594707 (E_RNA)
where:
Base-Base interactions energy: -84.083
where: short stacking energy: -71.257
Base-Backbone interact. energy: -0.468
local terms energy: -121.044103
where:
bonds (distance) C4'-P energy: -31.384
bonds (distance) P-C4' energy: -37.467
flat angles C4'-P-C4' energy: -33.366
flat angles P-C4'-P energy: -14.752
tors. eta vs tors. theta energy: -4.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -183.465933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.465933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.465933 (E_RNA)
where:
Base-Base interactions energy: -70.147
where: short stacking energy: -48.471
Base-Backbone interact. energy: -1.503
local terms energy: -111.816130
where:
bonds (distance) C4'-P energy: -38.087
bonds (distance) P-C4' energy: -30.751
flat angles C4'-P-C4' energy: -34.169
flat angles P-C4'-P energy: -5.172
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: 3
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -166.629921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.629921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.629921 (E_RNA)
where:
Base-Base interactions energy: -55.039
where: short stacking energy: -40.751
Base-Backbone interact. energy: 0.707
local terms energy: -112.298012
where:
bonds (distance) C4'-P energy: -35.010
bonds (distance) P-C4' energy: -31.196
flat angles C4'-P-C4' energy: -37.713
flat angles P-C4'-P energy: -21.012
tors. eta vs tors. theta energy: 12.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -657.306769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.306769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.306769 (E_RNA)
where:
Base-Base interactions energy: -441.784
where: short stacking energy: -189.457
Base-Backbone interact. energy: -0.276
local terms energy: -215.246253
where:
bonds (distance) C4'-P energy: -39.041
bonds (distance) P-C4' energy: -39.376
flat angles C4'-P-C4' energy: -44.099
flat angles P-C4'-P energy: -31.340
tors. eta vs tors. theta energy: -61.390
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: 4
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -631.095103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.095103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.095103 (E_RNA)
where:
Base-Base interactions energy: -435.359
where: short stacking energy: -179.270
Base-Backbone interact. energy: 1.224
local terms energy: -196.961019
where:
bonds (distance) C4'-P energy: -36.477
bonds (distance) P-C4' energy: -37.585
flat angles C4'-P-C4' energy: -42.292
flat angles P-C4'-P energy: -30.867
tors. eta vs tors. theta energy: -49.741
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: 1
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -616.718730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.718730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.718730 (E_RNA)
where:
Base-Base interactions energy: -416.322
where: short stacking energy: -189.779
Base-Backbone interact. energy: -0.204
local terms energy: -200.192937
where:
bonds (distance) C4'-P energy: -26.281
bonds (distance) P-C4' energy: -39.817
flat angles C4'-P-C4' energy: -43.711
flat angles P-C4'-P energy: -29.110
tors. eta vs tors. theta energy: -61.274
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: 8
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -569.723823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.723823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.723823 (E_RNA)
where:
Base-Base interactions energy: -389.295
where: short stacking energy: -178.227
Base-Backbone interact. energy: -0.188
local terms energy: -180.240845
where:
bonds (distance) C4'-P energy: -28.991
bonds (distance) P-C4' energy: -38.477
flat angles C4'-P-C4' energy: -33.915
flat angles P-C4'-P energy: -26.233
tors. eta vs tors. theta energy: -52.624
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: 7
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -556.856324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.856324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.856324 (E_RNA)
where:
Base-Base interactions energy: -367.136
where: short stacking energy: -171.559
Base-Backbone interact. energy: 0.979
local terms energy: -190.698699
where:
bonds (distance) C4'-P energy: -32.810
bonds (distance) P-C4' energy: -42.607
flat angles C4'-P-C4' energy: -40.949
flat angles P-C4'-P energy: -22.796
tors. eta vs tors. theta energy: -51.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -524.738084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.738084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.738084 (E_RNA)
where:
Base-Base interactions energy: -338.207
where: short stacking energy: -163.309
Base-Backbone interact. energy: -0.097
local terms energy: -186.434320
where:
bonds (distance) C4'-P energy: -35.703
bonds (distance) P-C4' energy: -40.964
flat angles C4'-P-C4' energy: -44.535
flat angles P-C4'-P energy: -22.992
tors. eta vs tors. theta energy: -42.240
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: 6
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -491.668839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.668839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.668839 (E_RNA)
where:
Base-Base interactions energy: -328.452
where: short stacking energy: -140.640
Base-Backbone interact. energy: 0.886
local terms energy: -164.103403
where:
bonds (distance) C4'-P energy: -25.519
bonds (distance) P-C4' energy: -37.701
flat angles C4'-P-C4' energy: -35.505
flat angles P-C4'-P energy: -31.268
tors. eta vs tors. theta energy: -34.110
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: 5
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -203.371521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.371521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.371521 (E_RNA)
where:
Base-Base interactions energy: -87.274
where: short stacking energy: -65.795
Base-Backbone interact. energy: -1.114
local terms energy: -114.983151
where:
bonds (distance) C4'-P energy: -33.754
bonds (distance) P-C4' energy: -39.761
flat angles C4'-P-C4' energy: -28.520
flat angles P-C4'-P energy: -5.416
tors. eta vs tors. theta energy: -7.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -223.256887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.256887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.256887 (E_RNA)
where:
Base-Base interactions energy: -95.162
where: short stacking energy: -66.968
Base-Backbone interact. energy: -0.205
local terms energy: -127.889595
where:
bonds (distance) C4'-P energy: -36.427
bonds (distance) P-C4' energy: -26.349
flat angles C4'-P-C4' energy: -32.382
flat angles P-C4'-P energy: -18.260
tors. eta vs tors. theta energy: -14.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -182.883465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.883465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.883465 (E_RNA)
where:
Base-Base interactions energy: -57.781
where: short stacking energy: -55.931
Base-Backbone interact. energy: 0.097
local terms energy: -125.199961
where:
bonds (distance) C4'-P energy: -33.508
bonds (distance) P-C4' energy: -24.877
flat angles C4'-P-C4' energy: -34.342
flat angles P-C4'-P energy: -25.769
tors. eta vs tors. theta energy: -6.705
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: 498
Temperature: 0.900000
Total energy: -663.493095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.493095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.493095 (E_RNA)
where:
Base-Base interactions energy: -442.532
where: short stacking energy: -186.162
Base-Backbone interact. energy: -1.975
local terms energy: -218.985569
where:
bonds (distance) C4'-P energy: -42.976
bonds (distance) P-C4' energy: -42.671
flat angles C4'-P-C4' energy: -42.467
flat angles P-C4'-P energy: -32.319
tors. eta vs tors. theta energy: -58.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -642.755135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.755135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.755135 (E_RNA)
where:
Base-Base interactions energy: -439.270
where: short stacking energy: -196.824
Base-Backbone interact. energy: -0.188
local terms energy: -203.296693
where:
bonds (distance) C4'-P energy: -31.795
bonds (distance) P-C4' energy: -38.844
flat angles C4'-P-C4' energy: -45.750
flat angles P-C4'-P energy: -29.291
tors. eta vs tors. theta energy: -57.617
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: 8
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -566.322814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.322814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.322814 (E_RNA)
where:
Base-Base interactions energy: -356.798
where: short stacking energy: -185.161
Base-Backbone interact. energy: 0.065
local terms energy: -209.590210
where:
bonds (distance) C4'-P energy: -40.899
bonds (distance) P-C4' energy: -41.931
flat angles C4'-P-C4' energy: -46.514
flat angles P-C4'-P energy: -28.899
tors. eta vs tors. theta energy: -51.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -583.630399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.630399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.630399 (E_RNA)
where:
Base-Base interactions energy: -389.319
where: short stacking energy: -177.388
Base-Backbone interact. energy: -1.434
local terms energy: -192.877246
where:
bonds (distance) C4'-P energy: -30.899
bonds (distance) P-C4' energy: -35.219
flat angles C4'-P-C4' energy: -45.579
flat angles P-C4'-P energy: -22.968
tors. eta vs tors. theta energy: -58.211
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: 5, replica: 7
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -555.773102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.773102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.773102 (E_RNA)
where:
Base-Base interactions energy: -366.628
where: short stacking energy: -173.717
Base-Backbone interact. energy: -0.234
local terms energy: -188.911798
where:
bonds (distance) C4'-P energy: -36.053
bonds (distance) P-C4' energy: -38.623
flat angles C4'-P-C4' energy: -31.718
flat angles P-C4'-P energy: -28.754
tors. eta vs tors. theta energy: -53.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -509.356478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.356478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.356478 (E_RNA)
where:
Base-Base interactions energy: -325.215
where: short stacking energy: -156.039
Base-Backbone interact. energy: -0.462
local terms energy: -183.679375
where:
bonds (distance) C4'-P energy: -31.133
bonds (distance) P-C4' energy: -36.212
flat angles C4'-P-C4' energy: -42.788
flat angles P-C4'-P energy: -28.506
tors. eta vs tors. theta energy: -45.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -473.074168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.074168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.074168 (E_RNA)
where:
Base-Base interactions energy: -307.048
where: short stacking energy: -127.668
Base-Backbone interact. energy: -1.086
local terms energy: -164.940312
where:
bonds (distance) C4'-P energy: -33.571
bonds (distance) P-C4' energy: -41.708
flat angles C4'-P-C4' energy: -34.997
flat angles P-C4'-P energy: -20.352
tors. eta vs tors. theta energy: -34.312
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: 498
Temperature: 1.250000
Total energy: -211.032299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.032299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.032299 (E_RNA)
where:
Base-Base interactions energy: -78.782
where: short stacking energy: -57.143
Base-Backbone interact. energy: -0.420
local terms energy: -131.829646
where:
bonds (distance) C4'-P energy: -37.895
bonds (distance) P-C4' energy: -43.757
flat angles C4'-P-C4' energy: -32.386
flat angles P-C4'-P energy: -18.909
tors. eta vs tors. theta energy: 1.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -184.228593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.228593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.228593 (E_RNA)
where:
Base-Base interactions energy: -72.433
where: short stacking energy: -51.728
Base-Backbone interact. energy: 0.155
local terms energy: -111.950268
where:
bonds (distance) C4'-P energy: -32.293
bonds (distance) P-C4' energy: -30.861
flat angles C4'-P-C4' energy: -26.650
flat angles P-C4'-P energy: -23.527
tors. eta vs tors. theta energy: 1.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -168.757127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.757127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.757127 (E_RNA)
where:
Base-Base interactions energy: -67.560
where: short stacking energy: -53.208
Base-Backbone interact. energy: -0.601
local terms energy: -100.595810
where:
bonds (distance) C4'-P energy: -36.167
bonds (distance) P-C4' energy: -22.881
flat angles C4'-P-C4' energy: -26.379
flat angles P-C4'-P energy: -16.333
tors. eta vs tors. theta energy: 1.163
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: 499
Temperature: 0.900000
Total energy: -661.079612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.079612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.079612 (E_RNA)
where:
Base-Base interactions energy: -451.729
where: short stacking energy: -174.730
Base-Backbone interact. energy: -0.811
local terms energy: -208.539079
where:
bonds (distance) C4'-P energy: -41.652
bonds (distance) P-C4' energy: -39.485
flat angles C4'-P-C4' energy: -45.476
flat angles P-C4'-P energy: -28.792
tors. eta vs tors. theta energy: -53.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -638.820742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.820742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.820742 (E_RNA)
where:
Base-Base interactions energy: -428.211
where: short stacking energy: -185.553
Base-Backbone interact. energy: -0.588
local terms energy: -210.021673
where:
bonds (distance) C4'-P energy: -34.330
bonds (distance) P-C4' energy: -40.473
flat angles C4'-P-C4' energy: -43.038
flat angles P-C4'-P energy: -33.854
tors. eta vs tors. theta energy: -58.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -589.414604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.414604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.414604 (E_RNA)
where:
Base-Base interactions energy: -371.492
where: short stacking energy: -190.202
Base-Backbone interact. energy: 0.174
local terms energy: -218.095837
where:
bonds (distance) C4'-P energy: -35.941
bonds (distance) P-C4' energy: -41.172
flat angles C4'-P-C4' energy: -47.577
flat angles P-C4'-P energy: -33.349
tors. eta vs tors. theta energy: -60.058
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: 1
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -595.241316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.241316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.241316 (E_RNA)
where:
Base-Base interactions energy: -400.930
where: short stacking energy: -162.999
Base-Backbone interact. energy: -0.510
local terms energy: -193.801014
where:
bonds (distance) C4'-P energy: -33.603
bonds (distance) P-C4' energy: -39.462
flat angles C4'-P-C4' energy: -34.209
flat angles P-C4'-P energy: -29.756
tors. eta vs tors. theta energy: -56.771
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: 7
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -569.571928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.571928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.571928 (E_RNA)
where:
Base-Base interactions energy: -368.378
where: short stacking energy: -169.252
Base-Backbone interact. energy: -0.674
local terms energy: -200.520129
where:
bonds (distance) C4'-P energy: -37.307
bonds (distance) P-C4' energy: -32.247
flat angles C4'-P-C4' energy: -46.284
flat angles P-C4'-P energy: -30.357
tors. eta vs tors. theta energy: -54.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -533.803098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.803098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.803098 (E_RNA)
where:
Base-Base interactions energy: -345.890
where: short stacking energy: -167.371
Base-Backbone interact. energy: -0.810
local terms energy: -187.103040
where:
bonds (distance) C4'-P energy: -31.976
bonds (distance) P-C4' energy: -38.599
flat angles C4'-P-C4' energy: -40.158
flat angles P-C4'-P energy: -29.672
tors. eta vs tors. theta energy: -46.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -469.885330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.885330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.885330 (E_RNA)
where:
Base-Base interactions energy: -307.205
where: short stacking energy: -112.233
Base-Backbone interact. energy: -0.944
local terms energy: -161.736658
where:
bonds (distance) C4'-P energy: -39.279
bonds (distance) P-C4' energy: -36.380
flat angles C4'-P-C4' energy: -35.759
flat angles P-C4'-P energy: -24.398
tors. eta vs tors. theta energy: -25.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -189.336098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.336098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.336098 (E_RNA)
where:
Base-Base interactions energy: -63.286
where: short stacking energy: -50.904
Base-Backbone interact. energy: 3.817
local terms energy: -129.867122
where:
bonds (distance) C4'-P energy: -29.086
bonds (distance) P-C4' energy: -43.371
flat angles C4'-P-C4' energy: -32.342
flat angles P-C4'-P energy: -18.893
tors. eta vs tors. theta energy: -6.175
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: 499
Temperature: 1.300000
Total energy: -193.035133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.035133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.035133 (E_RNA)
where:
Base-Base interactions energy: -79.302
where: short stacking energy: -48.804
Base-Backbone interact. energy: -1.482
local terms energy: -112.250458
where:
bonds (distance) C4'-P energy: -28.252
bonds (distance) P-C4' energy: -31.655
flat angles C4'-P-C4' energy: -34.467
flat angles P-C4'-P energy: -15.813
tors. eta vs tors. theta energy: -2.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -180.905758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.905758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.905758 (E_RNA)
where:
Base-Base interactions energy: -78.167
where: short stacking energy: -54.619
Base-Backbone interact. energy: -0.526
local terms energy: -102.213102
where:
bonds (distance) C4'-P energy: -33.610
bonds (distance) P-C4' energy: -34.048
flat angles C4'-P-C4' energy: -18.608
flat angles P-C4'-P energy: -10.370
tors. eta vs tors. theta energy: -5.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -664.514101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.514101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.514101 (E_RNA)
where:
Base-Base interactions energy: -461.809
where: short stacking energy: -189.512
Base-Backbone interact. energy: -1.415
local terms energy: -201.289750
where:
bonds (distance) C4'-P energy: -41.271
bonds (distance) P-C4' energy: -39.112
flat angles C4'-P-C4' energy: -43.219
flat angles P-C4'-P energy: -27.720
tors. eta vs tors. theta energy: -49.969
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: 4
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -653.547611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.547611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.547611 (E_RNA)
where:
Base-Base interactions energy: -436.167
where: short stacking energy: -196.353
Base-Backbone interact. energy: -0.315
local terms energy: -217.065330
where:
bonds (distance) C4'-P energy: -40.446
bonds (distance) P-C4' energy: -38.325
flat angles C4'-P-C4' energy: -40.176
flat angles P-C4'-P energy: -36.013
tors. eta vs tors. theta energy: -62.105
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: 1
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -613.345392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.345392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.345392 (E_RNA)
where:
Base-Base interactions energy: -409.152
where: short stacking energy: -191.283
Base-Backbone interact. energy: 0.199
local terms energy: -204.392323
where:
bonds (distance) C4'-P energy: -35.528
bonds (distance) P-C4' energy: -33.960
flat angles C4'-P-C4' energy: -43.246
flat angles P-C4'-P energy: -31.141
tors. eta vs tors. theta energy: -60.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -595.218463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.218463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.218463 (E_RNA)
where:
Base-Base interactions energy: -390.719
where: short stacking energy: -175.673
Base-Backbone interact. energy: -0.415
local terms energy: -204.084572
where:
bonds (distance) C4'-P energy: -34.428
bonds (distance) P-C4' energy: -42.016
flat angles C4'-P-C4' energy: -45.460
flat angles P-C4'-P energy: -29.523
tors. eta vs tors. theta energy: -52.658
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: 7
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -563.308013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.308013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.308013 (E_RNA)
where:
Base-Base interactions energy: -376.126
where: short stacking energy: -171.157
Base-Backbone interact. energy: -1.354
local terms energy: -185.827813
where:
bonds (distance) C4'-P energy: -34.464
bonds (distance) P-C4' energy: -33.422
flat angles C4'-P-C4' energy: -45.495
flat angles P-C4'-P energy: -24.435
tors. eta vs tors. theta energy: -48.011
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: 9
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -497.116877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.116877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.116877 (E_RNA)
where:
Base-Base interactions energy: -315.660
where: short stacking energy: -149.614
Base-Backbone interact. energy: -1.727
local terms energy: -179.730676
where:
bonds (distance) C4'-P energy: -38.009
bonds (distance) P-C4' energy: -38.503
flat angles C4'-P-C4' energy: -41.729
flat angles P-C4'-P energy: -23.383
tors. eta vs tors. theta energy: -38.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -505.285765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.285765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.285765 (E_RNA)
where:
Base-Base interactions energy: -349.356
where: short stacking energy: -140.889
Base-Backbone interact. energy: -1.455
local terms energy: -154.474838
where:
bonds (distance) C4'-P energy: -36.788
bonds (distance) P-C4' energy: -30.874
flat angles C4'-P-C4' energy: -35.806
flat angles P-C4'-P energy: -14.836
tors. eta vs tors. theta energy: -36.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -198.102321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.102321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.102321 (E_RNA)
where:
Base-Base interactions energy: -88.681
where: short stacking energy: -62.202
Base-Backbone interact. energy: -0.668
local terms energy: -108.753328
where:
bonds (distance) C4'-P energy: -29.312
bonds (distance) P-C4' energy: -33.896
flat angles C4'-P-C4' energy: -34.666
flat angles P-C4'-P energy: -4.999
tors. eta vs tors. theta energy: -5.881
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: 3
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -186.202835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.202835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.202835 (E_RNA)
where:
Base-Base interactions energy: -69.536
where: short stacking energy: -58.198
Base-Backbone interact. energy: -0.775
local terms energy: -115.891889
where:
bonds (distance) C4'-P energy: -26.348
bonds (distance) P-C4' energy: -32.862
flat angles C4'-P-C4' energy: -30.545
flat angles P-C4'-P energy: -20.353
tors. eta vs tors. theta energy: -5.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -175.297098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.297098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.297098 (E_RNA)
where:
Base-Base interactions energy: -64.963
where: short stacking energy: -44.194
Base-Backbone interact. energy: -1.347
local terms energy: -108.987156
where:
bonds (distance) C4'-P energy: -20.908
bonds (distance) P-C4' energy: -38.193
flat angles C4'-P-C4' energy: -37.406
flat angles P-C4'-P energy: -15.331
tors. eta vs tors. theta energy: 2.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -661.806918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.806918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.806918 (E_RNA)
where:
Base-Base interactions energy: -455.019
where: short stacking energy: -189.273
Base-Backbone interact. energy: -0.409
local terms energy: -206.378508
where:
bonds (distance) C4'-P energy: -38.506
bonds (distance) P-C4' energy: -39.960
flat angles C4'-P-C4' energy: -45.223
flat angles P-C4'-P energy: -22.577
tors. eta vs tors. theta energy: -60.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -640.302445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.302445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.302445 (E_RNA)
where:
Base-Base interactions energy: -428.865
where: short stacking energy: -179.923
Base-Backbone interact. energy: -0.198
local terms energy: -211.239087
where:
bonds (distance) C4'-P energy: -30.698
bonds (distance) P-C4' energy: -47.596
flat angles C4'-P-C4' energy: -43.724
flat angles P-C4'-P energy: -31.715
tors. eta vs tors. theta energy: -57.506
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: 1
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -616.947851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.947851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.947851 (E_RNA)
where:
Base-Base interactions energy: -410.136
where: short stacking energy: -184.720
Base-Backbone interact. energy: -0.247
local terms energy: -206.564663
where:
bonds (distance) C4'-P energy: -34.419
bonds (distance) P-C4' energy: -43.495
flat angles C4'-P-C4' energy: -44.130
flat angles P-C4'-P energy: -27.837
tors. eta vs tors. theta energy: -56.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -570.672965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.672965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.672965 (E_RNA)
where:
Base-Base interactions energy: -371.832
where: short stacking energy: -173.490
Base-Backbone interact. energy: -0.588
local terms energy: -198.252768
where:
bonds (distance) C4'-P energy: -36.595
bonds (distance) P-C4' energy: -39.419
flat angles C4'-P-C4' energy: -39.648
flat angles P-C4'-P energy: -26.580
tors. eta vs tors. theta energy: -56.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -568.173631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.173631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.173631 (E_RNA)
where:
Base-Base interactions energy: -358.044
where: short stacking energy: -177.338
Base-Backbone interact. energy: -0.030
local terms energy: -210.099571
where:
bonds (distance) C4'-P energy: -33.971
bonds (distance) P-C4' energy: -42.580
flat angles C4'-P-C4' energy: -41.407
flat angles P-C4'-P energy: -29.988
tors. eta vs tors. theta energy: -62.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -530.476112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.476112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.476112 (E_RNA)
where:
Base-Base interactions energy: -357.584
where: short stacking energy: -151.668
Base-Backbone interact. energy: 0.744
local terms energy: -173.635911
where:
bonds (distance) C4'-P energy: -32.417
bonds (distance) P-C4' energy: -32.576
flat angles C4'-P-C4' energy: -38.517
flat angles P-C4'-P energy: -26.629
tors. eta vs tors. theta energy: -43.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -510.143771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.143771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.143771 (E_RNA)
where:
Base-Base interactions energy: -329.614
where: short stacking energy: -172.383
Base-Backbone interact. energy: -0.293
local terms energy: -180.236998
where:
bonds (distance) C4'-P energy: -34.754
bonds (distance) P-C4' energy: -39.749
flat angles C4'-P-C4' energy: -40.586
flat angles P-C4'-P energy: -23.551
tors. eta vs tors. theta energy: -41.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -194.733588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.733588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.733588 (E_RNA)
where:
Base-Base interactions energy: -61.232
where: short stacking energy: -50.619
Base-Backbone interact. energy: -1.278
local terms energy: -132.223746
where:
bonds (distance) C4'-P energy: -29.256
bonds (distance) P-C4' energy: -45.571
flat angles C4'-P-C4' energy: -39.041
flat angles P-C4'-P energy: -17.451
tors. eta vs tors. theta energy: -0.904
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: 3
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -172.146611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.146611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.146611 (E_RNA)
where:
Base-Base interactions energy: -64.384
where: short stacking energy: -40.527
Base-Backbone interact. energy: -1.725
local terms energy: -106.037408
where:
bonds (distance) C4'-P energy: -41.111
bonds (distance) P-C4' energy: -33.629
flat angles C4'-P-C4' energy: -22.951
flat angles P-C4'-P energy: -17.203
tors. eta vs tors. theta energy: 8.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -162.775953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.775953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.775953 (E_RNA)
where:
Base-Base interactions energy: -50.956
where: short stacking energy: -37.098
Base-Backbone interact. energy: 0.315
local terms energy: -112.134133
where:
bonds (distance) C4'-P energy: -32.939
bonds (distance) P-C4' energy: -39.773
flat angles C4'-P-C4' energy: -26.118
flat angles P-C4'-P energy: -17.251
tors. eta vs tors. theta energy: 3.947
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)
replica 2 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 35909076
moves confirmed later: 40047848
all moves confirmed: 75956924
percent of confirmed moves: 9.494616
current total energy: -619.793713
recalc. total energy: -619.793713
replica 4 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 31020284
moves confirmed later: 33803885
all moves confirmed: 64824169
percent of confirmed moves: 8.103021
current total energy: -601.522701
recalc. total energy: -601.522701
replica 1 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 56024604
moves confirmed later: 66457447
all moves confirmed: 122482051
percent of confirmed moves: 15.310256
current total energy: -558.676797
recalc. total energy: -558.676797
replica 7 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 39828921
moves confirmed later: 45618744
all moves confirmed: 85447665
percent of confirmed moves: 10.680958
current total energy: -528.249773
recalc. total energy: -528.249773
replica 8 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 39931305
moves confirmed later: 45694769
all moves confirmed: 85626074
percent of confirmed moves: 10.703259
current total energy: -500.401201
recalc. total energy: -500.401201
replica 6 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 41334778
moves confirmed later: 46951578
all moves confirmed: 88286356
percent of confirmed moves: 11.035794
current total energy: -444.954131
recalc. total energy: -444.954131
replica 9 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 35935436
moves confirmed later: 40412782
all moves confirmed: 76348218
percent of confirmed moves: 9.543527
current total energy: -422.472055
recalc. total energy: -422.472055
replica 10 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 68998011
moves confirmed later: 83542892
all moves confirmed: 152540903
percent of confirmed moves: 19.067613
current total energy: -149.181850
recalc. total energy: -149.181850
replica 5 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 73893980
moves confirmed later: 90035966
all moves confirmed: 163929946
percent of confirmed moves: 20.491243
current total energy: -110.199154
recalc. total energy: -110.199154
replica 3 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 74264099
moves confirmed later: 90637471
all moves confirmed: 164901570
percent of confirmed moves: 20.612696
current total energy: -92.262965
recalc. total energy: -92.262965
out arg RESULTS//1/Bmutant-486ab426_01
Time of doing 8000000 iterations: 10933.808 seconds